Geometry & MOs

Info

ID:

105577

PubChem CID:

50126493

Reduced:

O5N6C32H44 (1)

Stoich.:

A5B6C32D44 (1)

Weight, g/mol:

652.313996

ΔHf, kcal/mol:

-224.42

Dipole, Da:

8.41

IP(EA), eV:

 -8.76(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-chloro-2-(cyclopentylcarbamoyl)anilino]-1-oxopropan-2-yl]-1-[2-[2-methyl-4-(propan-2-ylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC(C)C)NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC=CC=C3C(=O)NC(C)C

DOS

IR

Vibrations