Geometry & MOs

Info

ID:	246772
PubChem CID:	103064851
Reduced:	ClNSO2C11H12 (1)
Stoich.:	ABCD2E11F12 (1)
Weight, g/mol:	253.077265
ΔH_f, kcal/mol:	-78.17
Dipole, Da:	3.87
IP(EA), eV:	-9.02(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-2-(thiolan-3-ylamino)benzoic acid

Drug info:

PubChemData

Smile

C1CSCC1NC2=C(C=CC(=C2)Cl)C(=O)O

DOS

IR

Vibrations