Geometry & MOs

Info

ID:

45245

PubChem CID:

10510057

Reduced:

NO16C50H55 (1)

Stoich.:

AB16C50D55 (1)

Weight, g/mol:

934.337422

ΔHf, kcal/mol:

-523.25

Dipole, Da:

5.67

IP(EA), eV:

 -9.38(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

prop-2-enyl N-[1-[(2R,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[2-cyanoethoxy-[1-(3,5-dimethoxyphenyl)-2-oxo-2-phenylethoxy]phosphanyl]oxyoxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]carbamate

Drug info:

PubChemData

Smile

CCOC(=O)O[C@H]([C@H](C1=CC=CC=C1)N[14C](=O)C2=CC=CC=C2)C(=O)O[C@H]3C[C@]4([C@H](C5[C@@]([C@H](C[C@@H]6[C@]5(CO6)OC(=O)C)O)(C(=O)[C@@H](C(=C3C)C4(C)C)OC(=O)C)C)OC(=O)C7=CC=CC=C7)O

DOS

IR

Vibrations