Geometry & MOs

Info

ID:

103404

PubChem CID:

50071516

Reduced:

O5N6C44H50 (1)

Stoich.:

A5B6C44D50 (1)

Weight, g/mol:

762.329646

ΔHf, kcal/mol:

-159.42

Dipole, Da:

3.26

IP(EA), eV:

 -8.43(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(4-chlorobenzoyl)amino]-4-methylphenyl]-1-[1-[1-[2-methyl-5-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC2=C(C=CC(=C2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=C(C=CC(=C5)C(=O)NC6=CC=CC=C6C)C)C

DOS

IR

Vibrations