Geometry & MOs

Info

ID:

117731

PubChem CID:

50613272

Reduced:

Cl2O5N6C33H36 (1)

Stoich.:

A2B5C6D33E36 (1)

Weight, g/mol:

646.267046

ΔHf, kcal/mol:

-177.85

Dipole, Da:

9.2

IP(EA), eV:

 -8.94(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[2-[3-methyl-4-[(4-methylbenzoyl)amino]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)CNC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)NC)NC(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations