Geometry & MOs

Info

ID:

111690

PubChem CID:

50377916

Reduced:

ClO5N6C39H47 (1)

Stoich.:

AB5C6D39E47 (1)

Weight, g/mol:

728.345296

ΔHf, kcal/mol:

-198.94

Dipole, Da:

7.47

IP(EA), eV:

 -8.74(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-chloro-4-[(2-methylphenyl)carbamoyl]anilino]-3-oxopropyl]-1-[1-[3-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=CC(=C(C=C3)C(=O)NC4=CC=CC=C4)Cl)C(=O)NC5CCCCC5

DOS

IR

Vibrations