Geometry & MOs

Info

ID:

385145

PubChem CID:

134978402

Reduced:

PSN5O8H42C45 (1)

Stoich.:

ABC5D8E42F45 (1)

Weight, g/mol:

843.249172

ΔHf, kcal/mol:

-192.66

Dipole, Da:

14.33

IP(EA), eV:

 -8.6(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[9-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[methyl(phenylsulfanyl)phosphoryl]oxyoxolan-2-yl]-6-oxo-3H-purin-2-yl]benzamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OC[C@@H]4[C@H](C[C@@H](O4)N5C=NC6=C5NC(=NC6=O)NC(=O)C7=CC=CC=C7)O[P@@](=O)(C)SC8=CC=CC=C8

DOS

IR

Vibrations