Geometry & MOs

Info

ID:

119162

PubChem CID:

50672398

Reduced:

Cl2O5N6C40H52 (1)

Stoich.:

A2B5C6D40E52 (1)

Weight, g/mol:

720.259374

ΔHf, kcal/mol:

-233.31

Dipole, Da:

7.04

IP(EA), eV:

 -8.93(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)Cl)C(=O)N6CCCC(C6)C

DOS

IR

Vibrations