Geometry & MOs

Info

ID:

116922

PubChem CID:

50581194

Reduced:

Cl2N6O6C35H44 (1)

Stoich.:

A2B6C6D35E44 (1)

Weight, g/mol:

754.301239

ΔHf, kcal/mol:

-252.31

Dipole, Da:

12.87

IP(EA), eV:

 -8.91(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-2-(3-methylpiperidine-1-carbonyl)phenyl]-1-[1-[1-[4-chloro-3-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)C1=C(C=CC(=C1)Cl)NC(=O)C2CCCN2C(=O)C3CCN(CC3)C(C)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)N5CCOCC5

DOS

IR

Vibrations