Geometry & MOs

Info

ID:	246630
PubChem CID:	103064058
Reduced:	S2N3O3C11H15 (1)
Stoich.:	A2B3C3D11E15 (1)
Weight, g/mol:	300.033541
ΔH_f, kcal/mol:	-104.86
Dipole, Da:	3.04
IP(EA), eV:	-8.82(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-5-(thiolan-3-ylcarbamoylamino)benzoic acid

Drug info:

PubChemData

Smile

CC(C1=NC(=CS1)C(=O)O)NC(=O)NC2CCSC2

DOS

IR

Vibrations