Geometry & MOs

Info

ID:	247929
PubChem CID:	103077589
Reduced:	BrClFN2O2S2C12H15 (1)
Stoich.:	ABCD2E2F2G12H15 (1)
Weight, g/mol:	397.95028
ΔH_f, kcal/mol:	-117.35
Dipole, Da:	5.54
IP(EA), eV:	-8.76(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-4-bromo-5-chloro-2-fluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzenesulfonamide

Drug info:

PubChemData

Smile

C1CCSC(C1)CNS(=O)(=O)C2=CC(=C(C(=C2F)N)Br)Cl

DOS

IR

Vibrations