Geometry & MOs

Info

ID:	79193
PubChem CID:	49747338
Reduced:	SO3N4C23H28 (1)
Stoich.:	AB3C4D23E28 (1)
Weight, g/mol:	446.143092
ΔH_f, kcal/mol:	-73.67
Dipole, Da:	13.5
IP(EA), eV:	-8.6(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2-chlorophenyl)-N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2CCNC(=O)CN3C=NC4=CC=CC=C43

DOS

IR

Vibrations