Geometry & MOs

Info

ID:

114454

PubChem CID:

50483806

Reduced:

O5N6C43H48 (1)

Stoich.:

A5B6C43D48 (1)

Weight, g/mol:

728.368619

ΔHf, kcal/mol:

-157.37

Dipole, Da:

6.76

IP(EA), eV:

 -8.28(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[(3-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=C1C(=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