Geometry & MOs

Info

ID:	337225
PubChem CID:	127256790
Reduced:	NSO3H11C14 (1)
Stoich.:	ABC3D11E14 (1)
Weight, g/mol:	237.045964
ΔH_f, kcal/mol:	-49.47
Dipole, Da:	3.98
IP(EA), eV:	-8.51(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-oxopropyl 2H-1,3-benzothiazole-3-carboxylate

Drug info:

PubChemData

Smile

C1C=CC=C(C1=O)OC(=O)N2CSC3=CC=CC=C32

DOS

IR

Vibrations