Geometry & MOs

Info

ID:	59733
PubChem CID:	24895113
Reduced:	ClSN2O4H17C21 (1)
Stoich.:	ABC2D4E17F21 (1)
Weight, g/mol:	408.150197
ΔH_f, kcal/mol:	-90.4
Dipole, Da:	7.0
IP(EA), eV:	-9.52(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(3-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol;dihydrochloride

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)C3=CC=CC=C3Cl

DOS

IR

Vibrations