Geometry & MOs

Info

ID:

112989

PubChem CID:

50428469

Reduced:

O5N6C40H48 (1)

Stoich.:

A5B6C40D48 (1)

Weight, g/mol:

659.21072

ΔHf, kcal/mol:

-170.04

Dipole, Da:

13.31

IP(EA), eV:

 -8.69(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2-bromophenyl)-1-[1-[1-[2-methyl-3-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCCC2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=CC=CC(=C5C)C(=O)NC6=CC=CC=C6

DOS

IR

Vibrations