Geometry & MOs

Info

ID:	434097
PubChem CID:	135174255
Reduced:	FP2S2O9N10C20H25 (1)
Stoich.:	AB2C2D9E10F20G25 (1)
Weight, g/mol:	692.055017
ΔH_f, kcal/mol:	-390.56
Dipole, Da:	12.33
IP(EA), eV:	-9.2(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-9-[(1S,6R,10S,15R,17R,18R)-8-(6-aminopurin-9-yl)-18-fluoro-3,12-dihydroxy-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-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

C1[C@@H]([C@@H](OC1COP(=O)(O[C@@H]2CC(OC2N3C=NC4=C3NC(=NC4=O)N)COP(=S)(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](OC1COP(=O)(O[C@@H]2CC(OC2N3C=NC4=C3NC(=NC4=O)N)COP(=S)(O)O)S)N5C=NC6=C(N=CN=C65)N)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):