Geometry & MOs

Info

ID:

117352

PubChem CID:

50599812

Reduced:

ClFN6O6C38H46 (1)

Stoich.:

ABC6D6E38F46 (1)

Weight, g/mol:

728.228074

ΔHf, kcal/mol:

-265.94

Dipole, Da:

8.98

IP(EA), eV:

 -8.82(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-chloro-5-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]-1-[1-[4-chloro-3-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C=CC(=C1)NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=C(C=CC(=C3)NC(=O)C4=CC=C(C=C4)OC)F)Cl

DOS

IR

Vibrations