Geometry & MOs

Info

ID:	337224
PubChem CID:	127256789
Reduced:	NSO3C12H13 (1)
Stoich.:	ABC3D12E13 (1)
Weight, g/mol:	273.045964
ΔH_f, kcal/mol:	-97.47
Dipole, Da:	3.0
IP(EA), eV:	-8.75(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-oxocyclohexa-1,3-dien-1-yl) 2H-1,3-benzothiazole-3-carboxylate

Drug info:

PubChemData

Smile

CCC(=O)COC(=O)N1CSC2=CC=CC=C21

DOS

IR

Vibrations