Geometry & MOs

Info

ID:

111262

PubChem CID:

50360295

Reduced:

O4N5C35H49 (1)

Stoich.:

A4B5C35D49 (1)

Weight, g/mol:

609.308183

ΔHf, kcal/mol:

-188.76

Dipole, Da:

5.27

IP(EA), eV:

 -8.74(-0.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3-chloro-2-methylanilino)-3-methyl-1-oxobutan-2-yl]-1-[2-[3-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC=CC=C3C(C)C)C(=O)NC4CCCC4

DOS

IR

Vibrations