Geometry & MOs

Info

ID:	247928
PubChem CID:	103077588
Reduced:	BrClFN2O2S2C11H13 (1)
Stoich.:	ABCD2E2F2G11H13 (1)
Weight, g/mol:	415.94309
ΔH_f, kcal/mol:	-113.53
Dipole, Da:	3.74
IP(EA), eV:	-8.77(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-4-bromo-5-chloro-2-fluoro-N-(thian-2-ylmethyl)benzenesulfonamide

Drug info:

PubChemData

Smile

C1CC(SC1)CNS(=O)(=O)C2=CC(=C(C(=C2F)N)Br)Cl

DOS

IR

Vibrations