Geometry & MOs

Info

ID:

92142

PubChem CID:

49983300

Reduced:

ClO5N6C38H45 (1)

Stoich.:

AB5C6D38E45 (1)

Weight, g/mol:

625.22637

ΔHf, kcal/mol:

-198.48

Dipole, Da:

6.24

IP(EA), eV:

 -8.81(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(4-bromo-2-methylanilino)-3-oxopropyl]-1-[2-[5-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCC2)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC(=C(C=C4)Cl)NC(=O)C5=CC=CC=C5C

DOS

IR

Vibrations