Geometry & MOs

Info

ID:

426374

PubChem CID:

135143666

Reduced:

OPN2H39C56 (1)

Stoich.:

ABC2D39E56 (1)

Weight, g/mol:

404.221226

ΔHf, kcal/mol:

239.86

Dipole, Da:

4.93

IP(EA), eV:

 -7.92(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5S)-5-benzyl-2-butyl-N-(4-cyanophenyl)-N,3-dimethyl-4-oxoimidazolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C2(C3=CC=CC=C3N4C5=CC=CC=C5C6=C4C2=CC=C6)C7=C(P1(=O)C8=CC=CC=C8)C=CC(=C7)C9=CC=C(C=C9)N1C2=CC=CC=C2C2=CC=CC=C21)/C=C\C=C

DOS

IR

Vibrations