Geometry & MOs

Info

ID:

116377

PubChem CID:

50558541

Reduced:

Cl2O5N6C37H42 (1)

Stoich.:

A2B5C6D37E42 (1)

Weight, g/mol:

734.275024

ΔHf, kcal/mol:

-186.93

Dipole, Da:

6.81

IP(EA), eV:

 -8.81(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-chloro-3-[(2-methylphenyl)carbamoyl]anilino]-3-oxopropyl]-1-[1-[4-chloro-3-(piperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)N2CCCCC2)N3CCC(CC3)C(=O)NCCC(=O)NC4=CC(=C(C=C4)Cl)C(=O)NC5=CC=CC=C5

DOS

IR

Vibrations