Geometry & MOs

Info

ID:

114455

PubChem CID:

50483807

Reduced:

O5N6C43H48 (1)

Stoich.:

A5B6C43D48 (1)

Weight, g/mol:

748.313996

ΔHf, kcal/mol:

-150.06

Dipole, Da:

8.46

IP(EA), eV:

 -8.38(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[(4-chlorobenzoyl)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=C1)C(=O)NC2=CC=C(C=C2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=CC=CC(=C5C)C(=O)NC6=CC=CC=C6C

DOS

IR

Vibrations