Geometry & MOs

Info

ID:	246764
PubChem CID:	103064837
Reduced:	NSO2F3C12H12 (1)
Stoich.:	ABC2D3E12F12 (1)
Weight, g/mol:	225.057198
ΔH_f, kcal/mol:	-225.03
Dipole, Da:	8.03
IP(EA), eV:	-9.17(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(thiolan-3-ylamino)pyrazine-2-carboxylic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations