Geometry & MOs

Info

ID:

117900

PubChem CID:

50619963

Reduced:

ClN6O6C41H43 (1)

Stoich.:

AB6C6D41E43 (1)

Weight, g/mol:

754.243724

ΔHf, kcal/mol:

-179.36

Dipole, Da:

5.05

IP(EA), eV:

 -8.12(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[(2-chlorobenzoyl)amino]phenyl]-1-[1-[2-[4-chloro-3-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=C(C=C5)NC(=O)C6=CC=CC=C6OC)Cl

DOS

IR

Vibrations