Geometry & MOs

Info

ID:

117980

PubChem CID:

50622803

Reduced:

ClFO5N6H36C37 (1)

Stoich.:

ABC5D6E36F37 (1)

Weight, g/mol:

714.212424

ΔHf, kcal/mol:

-180.6

Dipole, Da:

15.01

IP(EA), eV:

 -8.64(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-chloro-4-[(2-methylbenzoyl)amino]anilino]-2-oxoethyl]-1-[2-[4-chloro-3-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC2=CC=C(C=C2)F)NC(=O)CNC(=O)C3CCN(CC3)CC(=O)NC4=CC(=C(C=C4)Cl)C(=O)NC5=CC=CC=C5

DOS

IR

Vibrations