Geometry & MOs

Info

ID:	374730
PubChem CID:	131342560
Reduced:	ClIO2S2C9H10 (1)
Stoich.:	ABC2D2E9F10 (1)
Weight, g/mol:	211.030314
ΔH_f, kcal/mol:	-51.55
Dipole, Da:	5.82
IP(EA), eV:	-8.75(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-oxo-6,7-dihydro-5H-1,3-benzothiazole-6-carboxylate

Drug info:

PubChemData

Smile

CCC1=C(C(=C(C=C1)I)SC)S(=O)(=O)Cl

DOS

IR

Vibrations