Geometry & MOs

Info

ID:

120090

PubChem CID:

50713399

Reduced:

Cl2O4N5C31H41 (1)

Stoich.:

A2B4C5D31E41 (1)

Weight, g/mol:

638.298346

ΔHf, kcal/mol:

-184.46

Dipole, Da:

4.39

IP(EA), eV:

 -8.79(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(methylcarbamoyl)anilino]-2-oxoethyl]-N-[3-[2-methyl-3-(3-methylpiperidine-1-carbonyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=CC(=C(C=C1)Cl)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)N(CC)CC)Cl

DOS

IR

Vibrations