Geometry & MOs

Info

ID:	161420
PubChem CID:	57391618
Reduced:	FNSO3H16C17 (1)
Stoich.:	ABCD3E16F17 (1)
Weight, g/mol:	493.135754
ΔH_f, kcal/mol:	-110.55
Dipole, Da:	6.88
IP(EA), eV:	-9.17(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]naphthalene-1-sulfonamide;hydrochloride

Drug info:

PubChemData

Smile

C1CNC[C@H]2[C@@H]1C3=C(O2)C=C(C=C3)S(=O)(=O)C4=CC=CC(=C4)F

DOS

IR

Vibrations