Geometry & MOs

Info

ID:

100555

PubChem CID:

50062311

Reduced:

N5O5C34H39 (1)

Stoich.:

A5B5C34D39 (1)

Weight, g/mol:

609.331505

ΔHf, kcal/mol:

-152.26

Dipole, Da:

6.38

IP(EA), eV:

 -8.8(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=CC(=C4C)C(=O)N5CCOCC5

DOS

IR

Vibrations