Geometry & MOs

Info

ID:

159507

PubChem CID:

57288276

Reduced:

N3O6C31H39 (1)

Stoich.:

A3B6C31D39 (1)

Weight, g/mol:

641.198499

ΔHf, kcal/mol:

-244.58

Dipole, Da:

5.77

IP(EA), eV:

 -8.8(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2S,5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-2-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]-2,2,2-trifluoroacetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)OCCN2C(=O)C3(CC(N(C(C3)(C)C)CCOC(=O)C4=CC=CC(=C4)C)(C)C)NC2=O

DOS

IR

Vibrations