Geometry & MOs

Info

ID:	246632
PubChem CID:	103064062
Reduced:	SO3N5C10H15 (1)
Stoich.:	AB3C5D10E15 (1)
Weight, g/mol:	343.98303
ΔH_f, kcal/mol:	-76.08
Dipole, Da:	2.02
IP(EA), eV:	-8.78(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-(thiolan-3-ylcarbamoylamino)benzoic acid

Drug info:

PubChemData

Smile

C1CSCC1NC(=O)NCC2=CN(N=N2)CC(=O)O

DOS

IR

Vibrations