Geometry & MOs

Info

ID:	247882
PubChem CID:	103077257
Reduced:	BrClFSN2O2C12H17 (1)
Stoich.:	ABCDE2F2G12H17 (1)
Weight, g/mol:	401.92744
ΔH_f, kcal/mol:	-123.62
Dipole, Da:	4.64
IP(EA), eV:	-9.25(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-4-bromo-5-chloro-2-fluoro-N-methyl-N-(thiolan-3-yl)benzenesulfonamide

Drug info:

PubChemData

Smile

CCCCCN(C)S(=O)(=O)C1=CC(=C(C(=C1F)N)Br)Cl

DOS

IR

Vibrations