Geometry & MOs

Info

ID:

119668

PubChem CID:

50695894

Reduced:

ClO5N6C35H47 (1)

Stoich.:

AB5C6D35E47 (1)

Weight, g/mol:

744.24016

ΔHf, kcal/mol:

-215.04

Dipole, Da:

2.6

IP(EA), eV:

 -9.1(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-bromo-3-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]-1-[1-[2-chloro-5-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=C(C=C(C=C4)C(=O)N(C)C)C

DOS

IR

Vibrations