Geometry & MOs

Info

ID:

115939

PubChem CID:

50540303

Reduced:

ClO5N6C34H43 (1)

Stoich.:

AB5C6D34E43 (1)

Weight, g/mol:

734.275024

ΔHf, kcal/mol:

-210.18

Dipole, Da:

12.04

IP(EA), eV:

 -8.88(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C=CC(=C2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=C(C=C5)C(=O)N)C)Cl

DOS

IR

Vibrations