Geometry & MOs

Info

ID:

111308

PubChem CID:

50362116

Reduced:

ClO4N5C31H42 (1)

Stoich.:

AB4C5D31E42 (1)

Weight, g/mol:

603.261232

ΔHf, kcal/mol:

-187.98

Dipole, Da:

2.14

IP(EA), eV:

 -8.79(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-chloro-2-(phenylcarbamoyl)phenyl]-1-[2-[2-methyl-3-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC3=C(C=CC(=C3)Cl)C(=O)NCC(C)C)C(=O)NCC(C)C

DOS

IR

Vibrations