Geometry & MOs

Info

ID:

107253

PubChem CID:

50196271

Reduced:

N6O7C37H52 (1)

Stoich.:

A6B7C37D52 (1)

Weight, g/mol:

581.276883

ΔHf, kcal/mol:

-295.0

Dipole, Da:

10.47

IP(EA), eV:

 -8.41(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-1-[2-[4-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCOCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=C(C=C4)OC)NC(=O)C(C)C

DOS

IR

Vibrations