Geometry & MOs

Info

ID:

297414

PubChem CID:

117617015

Reduced:

SN2O3H16C20 (1)

Stoich.:

AB2C3D16E20 (1)

Weight, g/mol:

732.24842

ΔHf, kcal/mol:

3.89

Dipole, Da:

0.78

IP(EA), eV:

 -8.89(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,2-difluorobut-3-enyl (2S)-2-[[[(3R,4R)-5-[6-but-3-enoxy-2-(methylamino)purin-9-yl]-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate

Drug info:

PubChemData

Smile

C1CC1N=C2N(C(=O)/C(=C/C3=CC4=C(C=C3)OCO4)/S2)C5=CC=CC=C5

DOS

IR

Vibrations