Geometry & MOs

Info

ID:

104100

PubChem CID:

50091674

Reduced:

N6O6C41H46 (1)

Stoich.:

A6B6C41D46 (1)

Weight, g/mol:

722.298346

ΔHf, kcal/mol:

-182.88

Dipole, Da:

16.81

IP(EA), eV:

 -8.4(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-[(2-chlorobenzoyl)amino]anilino]-1-oxopropan-2-yl]-1-[1-[2-methyl-5-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC=C(C=C4)NC(=O)C5=CC=CC=C5OC

DOS

IR

Vibrations