Geometry & MOs

Info

ID:	253190
PubChem CID:	103116685
Reduced:	SN3O3C10H13 (1)
Stoich.:	AB3C3D10E13 (1)
Weight, g/mol:	305.083413
ΔH_f, kcal/mol:	-88.27
Dipole, Da:	9.68
IP(EA), eV:	-8.79(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1-methylindazole-3-carbonyl)amino]thiolane-3-carboxylic acid

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)NC2(CCSC2)C(=O)O

DOS

IR

Vibrations