Geometry & MOs

Info

ID:

111354

PubChem CID:

50362999

Reduced:

N5O5C32H41 (1)

Stoich.:

A5B5C32D41 (1)

Weight, g/mol:

642.21653

ΔHf, kcal/mol:

-195.57

Dipole, Da:

8.0

IP(EA), eV:

 -8.93(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-bromo-3-(methylcarbamoyl)anilino]-2-oxoethyl]-1-[2-[2-methyl-3-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=CC=CC(=C3)C(=O)C)C(=O)N4CCCCC4

DOS

IR

Vibrations