Geometry & MOs

Info

ID:

108936

PubChem CID:

50265521

Reduced:

O4N5C34H41 (1)

Stoich.:

A4B5C34D41 (1)

Weight, g/mol:

617.276883

ΔHf, kcal/mol:

-133.02

Dipole, Da:

7.82

IP(EA), eV:

 -8.76(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(butan-2-ylcarbamoyl)-4-chlorophenyl]-1-[1-[2-methyl-4-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)NC4=CC=CC=C4)C

DOS

IR

Vibrations