Geometry & MOs

Info

ID:

112596

PubChem CID:

50412745

Reduced:

N6O6C37H44 (1)

Stoich.:

A6B6C37D44 (1)

Weight, g/mol:

688.313996

ΔHf, kcal/mol:

-212.05

Dipole, Da:

7.86

IP(EA), eV:

 -8.29(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(5-benzamido-2-chloroanilino)-1-oxopropan-2-yl]-1-[1-[3-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)CC(=O)NC4=CC=CC(=C4C)C(=O)NC)NC(=O)C5=CC=CC=C5OC

DOS

IR

Vibrations