Geometry & MOs

Info

ID:

106592

PubChem CID:

50170147

Reduced:

BrO5N6C36H47 (1)

Stoich.:

AB5C6D36E47 (1)

Weight, g/mol:

722.27913

ΔHf, kcal/mol:

-220.04

Dipole, Da:

8.04

IP(EA), eV:

 -8.78(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-bromo-3-(propylcarbamoyl)phenyl]-1-[1-[2-[4-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2CCCC2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)Br)C(=O)NC(C)C

DOS

IR

Vibrations