Geometry & MOs

Info

ID:

92671

PubChem CID:

49988911

Reduced:

ClO5N6C39H47 (1)

Stoich.:

AB5C6D39E47 (1)

Weight, g/mol:

728.345296

ΔHf, kcal/mol:

-195.99

Dipole, Da:

9.9

IP(EA), eV:

 -8.76(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-chloro-5-[(2-methylbenzoyl)amino]anilino]-3-oxopropyl]-1-[1-[5-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=CC(=C(C=C4)Cl)NC(=O)C5=CC=CC=C5

DOS

IR

Vibrations