Geometry & MOs

Info

ID:

434451

PubChem CID:

135174948

Reduced:

F2P2S2O9N10C20H24 (1)

Stoich.:

A2B2C2D9E10F20G24 (1)

Weight, g/mol:

730.051823

ΔHf, kcal/mol:

-503.26

Dipole, Da:

13.7

IP(EA), eV:

 -8.98(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-9-[(2R,5R)-5-[[[(2R,3R)-4-(6-aminopurin-9-yl)-2-(dihydroxyphosphinothioyloxymethyl)-4-fluorooxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-4,4-difluorooxolan-2-yl]-3H-purin-6-one

Drug info:

PubChemData

Smile

C1[C@@H](C(OC1N2C=NC3=C(N=CN=C32)N)COP(=S)(O)O)OP(=S)(O)OCC4C(CC(O4)N5C=NC6=C5NC(=NC6=O)N)(F)F

DOS

IR

Vibrations