Geometry & MOs

Info

ID:

112568

PubChem CID:

50411926

Reduced:

N5O6C30H39 (1)

Stoich.:

A5B6C30D39 (1)

Weight, g/mol:

561.331505

ΔHf, kcal/mol:

-214.78

Dipole, Da:

8.46

IP(EA), eV:

 -9.03(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(cyclohexylcarbamoyl)-6-methylphenyl]-1-[1-[2-methyl-3-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)C(=O)N4CCOCC4)OC)C(=O)NC

DOS

IR

Vibrations