Geometry & MOs

Info

ID:	79320
PubChem CID:	49748032
Reduced:	FOSN3C21H26 (1)
Stoich.:	ABCD3E21F26 (1)
Weight, g/mol:	461.02426
ΔH_f, kcal/mol:	-21.95
Dipole, Da:	2.23
IP(EA), eV:	-8.33(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(CNC(=O)C2(CC2)C3=CC=CS3)C4=CC=C(C=C4)F

DOS

IR

Vibrations