Geometry & MOs

Info

ID:

92777

PubChem CID:

49989515

Reduced:

ClO5N6C40H47 (1)

Stoich.:

AB5C6D40E47 (1)

Weight, g/mol:

740.345296

ΔHf, kcal/mol:

-179.65

Dipole, Da:

4.71

IP(EA), eV:

 -8.92(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-chloro-5-[(2-methylphenyl)carbamoyl]phenyl]-1-[1-[2-[5-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)C(=O)NC6=CC=CC=C6)Cl

DOS

IR

Vibrations