Geometry & MOs

Info

ID:

111147

PubChem CID:

50354204

Reduced:

O5N6C32H42 (1)

Stoich.:

A5B6C32D42 (1)

Weight, g/mol:

632.368619

ΔHf, kcal/mol:

-205.95

Dipole, Da:

4.12

IP(EA), eV:

 -8.69(-0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-methyl-3-(2-methylbutanoylamino)anilino]-2-oxoethyl]-1-[2-[2-methyl-3-(piperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)N4CCCCC4)NC(=O)C

DOS

IR

Vibrations