Geometry & MOs

Info

ID:

114456

PubChem CID:

50483808

Reduced:

ClO5N6C42H45 (1)

Stoich.:

AB5C6D42E45 (1)

Weight, g/mol:

728.368619

ΔHf, kcal/mol:

-152.19

Dipole, Da:

5.48

IP(EA), eV:

 -8.37(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[(4-methylbenzoyl)amino]phenyl]-1-[1-[1-[2-methyl-3-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=C(C=C5)NC(=O)C6=CC=C(C=C6)Cl)C

DOS

IR

Vibrations