Geometry & MOs

Info

ID:

117998

PubChem CID:

50623622

Reduced:

Cl2O3N4C26H32 (1)

Stoich.:

A2B3C4D26E32 (1)

Weight, g/mol:

635.267461

ΔHf, kcal/mol:

-122.48

Dipole, Da:

4.73

IP(EA), eV:

 -8.94(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(diethylcarbamoyl)anilino]-2-oxoethyl]-N-[5-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylphenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations