Geometry & MOs

Info

ID:

117970

PubChem CID:

50622634

Reduced:

Cl2O5N6C33H42 (1)

Stoich.:

A2B5C6D33E42 (1)

Weight, g/mol:

680.228074

ΔHf, kcal/mol:

-224.13

Dipole, Da:

5.71

IP(EA), eV:

 -8.78(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-chloro-5-[(3-methylbenzoyl)amino]anilino]-3-oxopropyl]-1-[1-[4-chloro-3-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)NC)N2CCC(CC2)C(=O)NCCC(=O)NC3=CC(=C(C=C3)Cl)NC(=O)C4CCCCC4

DOS

IR

Vibrations