Geometry & MOs

Info

ID:

92572

PubChem CID:

49988152

Reduced:

N5O5C36H43 (1)

Stoich.:

A5B5C36D43 (1)

Weight, g/mol:

629.276883

ΔHf, kcal/mol:

-165.48

Dipole, Da:

5.54

IP(EA), eV:

 -8.43(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[(3-chlorobenzoyl)amino]phenyl]-1-[2-[5-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=C(C=C4)NC(=O)C5=CC=CC=C5OC

DOS

IR

Vibrations