Geometry & MOs

Info

ID:	337223
PubChem CID:	127256788
Reduced:	NSO3C11H11 (1)
Stoich.:	ABC3D11E11 (1)
Weight, g/mol:	251.061614
ΔH_f, kcal/mol:	-86.44
Dipole, Da:	2.87
IP(EA), eV:	-8.71(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C=O)OC(=O)N1CSC2=CC=CC=C21

DOS

IR

Vibrations