Geometry & MOs

Info

ID:	65442
PubChem CID:	29214989
Reduced:	S2O3N4C19H30 (1)
Stoich.:	A2B3C4D19E30 (1)
Weight, g/mol:	339.243639
ΔH_f, kcal/mol:	-78.01
Dipole, Da:	9.96
IP(EA), eV:	-8.88(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[(2S)-4-[(3-methylphenyl)methyl]-1-[(4-methylphenyl)methyl]piperazin-4-ium-2-yl]ethanol

Drug info:

PubChemData

Smile

CCCCNC(=S)N(C)NC(=O)[C@H](C(C)C)NS(=O)(=O)/C=C/C1=CC=CC=C1

DOS

IR

Vibrations