Geometry & MOs

Info

ID:	195685
PubChem CID:	78723268
Reduced:	SN3O4C18H27 (1)
Stoich.:	AB3C4D18E27 (1)
Weight, g/mol:	392.200788
ΔH_f, kcal/mol:	-163.66
Dipole, Da:	5.99
IP(EA), eV:	-9.14(0.03)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(4-methylpiperidin-1-ium-1-yl)-1-[4-(2-phenylethenylsulfonyl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)CN(C)CC(=O)N(C)C2CCS(=O)(=O)C2

DOS

IR

Vibrations