Geometry & MOs

Info

ID:	246649
PubChem CID:	103064378
Reduced:	SN2O3C11H12 (1)
Stoich.:	AB2C3D11E12 (1)
Weight, g/mol:	241.040879
ΔH_f, kcal/mol:	-94.79
Dipole, Da:	2.77
IP(EA), eV:	-8.9(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(thiolan-3-ylcarbamoyl)furan-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CSCC1NC(=O)C2=CC(=NC=C2)C(=O)O

DOS

IR

Vibrations