Geometry & MOs

Info

ID:	246763
PubChem CID:	103064836
Reduced:	SN2O2C12H16 (1)
Stoich.:	AB2C2D12E16 (1)
Weight, g/mol:	291.054084
ΔH_f, kcal/mol:	-83.44
Dipole, Da:	4.67
IP(EA), eV:	-9.02(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C(=O)O)NC2CCSC2

DOS

IR

Vibrations