Geometry & MOs

Info

ID:

93073

PubChem CID:

49991345

Reduced:

O3N4C31H42 (1)

Stoich.:

A3B4C31D42 (1)

Weight, g/mol:

728.345296

ΔHf, kcal/mol:

-140.57

Dipole, Da:

8.25

IP(EA), eV:

 -8.86(-0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4CCCCC4)C

DOS

IR

Vibrations