Geometry & MOs

Info

ID:

117285

PubChem CID:

50597302

Reduced:

ClN6O6C43H47 (1)

Stoich.:

AB6C6D43E47 (1)

Weight, g/mol:

782.275024

ΔHf, kcal/mol:

-187.42

Dipole, Da:

13.72

IP(EA), eV:

 -8.46(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)C(C)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)NC5=CC=CC=C5C)NC(=O)C6=CC=CC=C6OC

DOS

IR

Vibrations