Geometry & MOs

Info

ID:

111547

PubChem CID:

50372061

Reduced:

BrO4N5C35H48 (1)

Stoich.:

AB4C5D35E48 (1)

Weight, g/mol:

680.368619

ΔHf, kcal/mol:

-182.91

Dipole, Da:

6.32

IP(EA), eV:

 -9.08(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(4-benzamido-3-methylanilino)-3-oxopropyl]-1-[1-[3-(cyclopentylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)NC4CCCC4)C)Br

DOS

IR

Vibrations