Geometry & MOs

Info

ID:	292994
PubChem CID:	117369313
Reduced:	ClSO3C10H11 (1)
Stoich.:	ABC3D10E11 (1)
Weight, g/mol:	247.048072
ΔH_f, kcal/mol:	-92.91
Dipole, Da:	5.97
IP(EA), eV:	-10.14(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(5-methyl-1,3-benzodioxol-4-yl)-1,2-oxazole-3-carboxylic acid

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=C(C=C(C=C1)C2(CC2)O)Cl

DOS

IR

Vibrations