Geometry & MOs

Info

ID:

308010

PubChem CID:

125311763

Reduced:

N4O4C19H22 (1)

Stoich.:

A4B4C19D22 (1)

Weight, g/mol:

854.388048

ΔHf, kcal/mol:

-62.8

Dipole, Da:

2.13

IP(EA), eV:

 -8.14(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N'-[9-[(2S,3R,4S,5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-3-methoxyoxolan-2-yl]-6-oxo-8H-purin-2-yl]-N,N-dimethylmethanimidamide

Drug info:

PubChemData

Smile

CCC1=NN2C(=N)[C@@H](C=NC2=C1C3=CC(=C(C=C3)OC)OC)C(=O)OCC

DOS

IR

Vibrations