Geometry & MOs

Info

ID:

120201

PubChem CID:

50717705

Reduced:

BrClO5N6C36H40 (1)

Stoich.:

ABC5D6E36F40 (1)

Weight, g/mol:

764.20886

ΔHf, kcal/mol:

-159.11

Dipole, Da:

8.15

IP(EA), eV:

 -8.8(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-bromo-3-(propan-2-ylcarbamoyl)phenyl]-1-[1-[1-[2-chloro-5-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2)Cl)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)Br)C(=O)N(C)C

DOS

IR

Vibrations