Geometry & MOs

Info

ID:

117627

PubChem CID:

50609074

Reduced:

ClN6O6C37H45 (1)

Stoich.:

AB6C6D37E45 (1)

Weight, g/mol:

708.259374

ΔHf, kcal/mol:

-214.44

Dipole, Da:

5.08

IP(EA), eV:

 -8.89(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-[(2-chlorobenzoyl)amino]anilino]-1-oxopropan-2-yl]-1-[1-[4-chloro-3-(diethylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C=CC(=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4OC)Cl

DOS

IR

Vibrations