Geometry & MOs

Info

ID:

117940

PubChem CID:

50621250

Reduced:

ClN6O6C42H45 (1)

Stoich.:

AB6C6D42E45 (1)

Weight, g/mol:

768.259374

ΔHf, kcal/mol:

-188.14

Dipole, Da:

8.4

IP(EA), eV:

 -8.55(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations