Geometry & MOs

Info

ID:

103818

PubChem CID:

50076062

Reduced:

ClO5N6C39H41 (1)

Stoich.:

AB5C6D39E41 (1)

Weight, g/mol:

680.368619

ΔHf, kcal/mol:

-155.85

Dipole, Da:

5.45

IP(EA), eV:

 -8.69(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-(cyclohexylcarbamoyl)-6-methylanilino]-2-oxoethyl]-1-[2-[2-methyl-5-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)NC(=O)CNC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC=CC=C5C)C)Cl

DOS

IR

Vibrations