Geometry & MOs

Info

ID:	337222
PubChem CID:	127256787
Reduced:	NSO3H15C16 (1)
Stoich.:	ABC3D15E16 (1)
Weight, g/mol:	237.045964
ΔH_f, kcal/mol:	-63.73
Dipole, Da:	3.64
IP(EA), eV:	-8.18(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-oxopropan-2-yl 2H-1,3-benzothiazole-3-carboxylate

Drug info:

PubChemData

Smile

C1C=CC=C(C1=O)COC(=O)CN2CSC3=CC=CC=C32

DOS

IR

Vibrations