Geometry & MOs

Info

ID:

47474

PubChem CID:

10533099

Reduced:

F3S3O9H33C35 (1)

Stoich.:

A3B3C9D33E35 (1)

Weight, g/mol:

754.300961

ΔHf, kcal/mol:

-453.13

Dipole, Da:

11.96

IP(EA), eV:

 -8.93(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2R,3R,4S,5R)-2-(4-amino-2-oxopyrimidin-1-yl)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[tert-butyl(dimethyl)silyl]oxyoxolan-3-yl]-2,2,2-trifluoroacetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OCC2(CC(=C(C2)C3=CC=C(C=C3)S(=O)(=O)C)C4=CC=C(C=C4)OC(F)(F)F)COS(=O)(=O)C5=CC=C(C=C5)C

DOS

IR

Vibrations