Geometry & MOs

Info

ID:

385064

PubChem CID:

134978241

Reduced:

PSN3O8H42C44 (1)

Stoich.:

ABC3D8E42F44 (1)

Weight, g/mol:

803.243024

ΔHf, kcal/mol:

-236.65

Dipole, Da:

3.6

IP(EA), eV:

 -8.54(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[methyl(phenylsulfanyl)phosphoryl]oxyoxolan-2-yl]-2-oxopyrimidin-4-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=CC(=NC5=O)NC(=O)C6=CC=CC=C6)O[P@@](=O)(C)SC7=CC=CC=C7

DOS

IR

Vibrations