Geometry & MOs

Info

ID:	209845
PubChem CID:	80731054
Reduced:	BrFS2N3O4H7C10 (1)
Stoich.:	ABC2D3E4F7G10 (1)
Weight, g/mol:	276.049001
ΔH_f, kcal/mol:	-75.31
Dipole, Da:	6.75
IP(EA), eV:	-9.48(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(butan-2-ylsulfonylmethyl)-5-methylthiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Br)NS(=O)(=O)C2=CC(=C(S2)N)[N+](=O)[O-])F

DOS

IR

Vibrations