Geometry & MOs

Info

ID:	434175
PubChem CID:	135174338
Reduced:	FP2S2O9N11C20H26 (1)
Stoich.:	AB2C2D9E11F20G26 (1)
Weight, g/mol:	726.022752
ΔH_f, kcal/mol:	-401.96
Dipole, Da:	6.68
IP(EA), eV:	-9.11(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-9-[(1R,6R,10R,15R,17R,18S)-9-(6-aminopurin-9-yl)-9,18-difluoro-12-hydroxy-3-oxo-3-sulfanyl-12-sulfanylidene-2,4,7,11,13-pentaoxa-16-thia-3lambda5,12lambda5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-3H-purin-6-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

C[C@]1([C@H](CC(O1)N2C=NC3=C(N=CN=C32)N)OP(=S)(O)OCC4C(CC(O4)N5C6=NC(=NC(=O)C6=NN5)N)F)COP(=O)(O)S

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

C[C@]1([C@H](CC(O1)N2C=NC3=C(N=CN=C32)N)OP(=S)(O)OCC4C(CC(O4)N5C6=NC(=NC(=O)C6=NN5)N)F)COP(=O)(O)S

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):