Geometry & MOs

Info

ID:

109336

PubChem CID:

50280789

Reduced:

ClO5N6C39H41 (1)

Stoich.:

AB5C6D39E41 (1)

Weight, g/mol:

722.298346

ΔHf, kcal/mol:

-146.76

Dipole, Da:

7.81

IP(EA), eV:

 -8.51(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC=CC=C5)Cl)C

DOS

IR

Vibrations