Geometry & MOs

Info

ID:	284606
PubChem CID:	104055315
Reduced:	ClFSN2O2H12C13 (1)
Stoich.:	ABCD2E2F12G13 (1)
Weight, g/mol:	332.096141
ΔH_f, kcal/mol:	-83.22
Dipole, Da:	6.49
IP(EA), eV:	-8.9(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[4-(aminomethyl)-3-chlorophenyl]sulfonylpiperidin-2-yl]ethanol

Drug info:

PubChemData

Smile

C1=CC(=CC=C1NS(=O)(=O)C2=CC(=C(C=C2)CN)Cl)F

DOS

IR

Vibrations