Geometry & MOs

Info

ID:

100139

PubChem CID:

50058681

Reduced:

O4N5C37H39 (1)

Stoich.:

A4B5C37D39 (1)

Weight, g/mol:

623.229932

ΔHf, kcal/mol:

-98.22

Dipole, Da:

9.97

IP(EA), eV:

 -8.65(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-benzamido-4-chlorophenyl)-1-[2-[2-methyl-5-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC2=C(C=C(C=C2)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC=CC=C5)C)C

DOS

IR

Vibrations