Geometry & MOs

Info

ID:	183455
PubChem CID:	77023334
Reduced:	BrSN2O3H9C11 (1)
Stoich.:	ABC2D3E9F11 (1)
Weight, g/mol:	328.018764
ΔH_f, kcal/mol:	-43.86
Dipole, Da:	3.55
IP(EA), eV:	-9.49(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-oxo-3H-pyridin-3-yl)sulfonylamino]-3-thiophen-2-ylpropanoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Br)NS(=O)(=O)C2C=NC=CC2=O

DOS

IR

Vibrations