Geometry & MOs

Info

ID:

111279

PubChem CID:

50360812

Reduced:

O5N6C38H50 (1)

Stoich.:

A5B6C38D50 (1)

Weight, g/mol:

680.345296

ΔHf, kcal/mol:

-210.85

Dipole, Da:

6.95

IP(EA), eV:

 -8.78(-0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-chloro-3-(2-methylpropanoylamino)anilino]-3-oxopropyl]-1-[1-[2-methyl-3-(3-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=CC(=C4C)C(=O)N5CCCC5)C(=O)N6CCCCC6

DOS

IR

Vibrations