Geometry & MOs

Info

ID:	246857
PubChem CID:	103065167
Reduced:	NOSC5H7 (2)
Stoich.:	ABCD5E7 (2)
Weight, g/mol:	284.06532
ΔH_f, kcal/mol:	-62.65
Dipole, Da:	1.32
IP(EA), eV:	-8.8(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(thiolan-3-ylamino)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylic acid

Drug info:

PubChemData

Smile

COC(=O)CC1=CSC(=N1)NC2CCSC2

DOS

IR

Vibrations