Geometry & MOs

Info

ID:

120519

PubChem CID:

50731224

Reduced:

ClFO4N5H31C34 (1)

Stoich.:

ABC4D5E31F34 (1)

Weight, g/mol:

649.22226

ΔHf, kcal/mol:

-127.29

Dipole, Da:

7.77

IP(EA), eV:

 -8.87(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-3-(4-methylpiperidine-1-carbonyl)phenyl]-1-[2-[2-chloro-5-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NC2=C(C=CC(=C2)NC(=O)C3=CC=CC=C3)F)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC=CC=C5)Cl

DOS

IR

Vibrations