Geometry & MOs

Info

ID:	246775
PubChem CID:	103064856
Reduced:	BrNSO2C11H12 (1)
Stoich.:	ABCD2E11F12 (1)
Weight, g/mol:	225.057198
ΔH_f, kcal/mol:	-62.44
Dipole, Da:	5.48
IP(EA), eV:	-9.06(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations