Geometry & MOs

Info

ID:	36754
PubChem CID:	8012234
Reduced:	FO5H13C16 (1)
Stoich.:	AB5C13D16 (1)
Weight, g/mol:	375.041273
ΔH_f, kcal/mol:	-185.54
Dipole, Da:	0.87
IP(EA), eV:	-8.98(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl 1,3-benzodioxole-5-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)F)COC(=O)C2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations