Geometry & MOs

Info

ID:	434118
PubChem CID:	135174276
Reduced:	FP2S3O9N10C21H27 (1)
Stoich.:	AB2C3D9E10F21G27 (1)
Weight, g/mol:	706.075833
ΔH_f, kcal/mol:	-452.18
Dipole, Da:	12.83
IP(EA), eV:	-9.22(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-1-[(1R,5R,9R,14R,17R)-7-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-8,17-difluoro-11-hydroxy-1-methyl-2-oxo-2-sulfanyl-11-sulfanylidene-3,6,10,12,15-pentaoxa-2lambda5,11lambda5-diphosphatricyclo[12.2.1.05,9]heptadecan-16-yl]-5H-imidazo[4,5-c]pyridin-4-one

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C1[C@H]([C@H](SC1N2C=NC3=C2NC(=NC3=O)N)COP(=S)(O)O[C@H]4CC(O[C@]4(CO)COP(=O)(O)S)N5C=NC6=C(N=CN=C65)N)F

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C1[C@H]([C@H](SC1N2C=NC3=C2NC(=NC3=O)N)COP(=S)(O)O[C@H]4CC(O[C@]4(CO)COP(=O)(O)S)N5C=NC6=C(N=CN=C65)N)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):