Geometry & MOs

Info

ID:

100345

PubChem CID:

50060344

Reduced:

FO4N5C36H44 (1)

Stoich.:

AB4C5D36E44 (1)

Weight, g/mol:

629.276883

ΔHf, kcal/mol:

-198.27

Dipole, Da:

7.0

IP(EA), eV:

 -8.57(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4=C(C=C(C=C4)F)C)C

DOS

IR

Vibrations