Geometry & MOs

Info

ID:

93001

PubChem CID:

49990945

Reduced:

N5O5C35H47 (1)

Stoich.:

A5B5C35D47 (1)

Weight, g/mol:

629.394105

ΔHf, kcal/mol:

-204.84

Dipole, Da:

6.15

IP(EA), eV:

 -8.93(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[5-(cyclohexylcarbamoyl)-2-methylphenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5CCCCC5)C

DOS

IR

Vibrations