Geometry & MOs

Info

ID:	28470
PubChem CID:	827786
Reduced:	FNSO2H10C15 (1)
Stoich.:	ABCD2E10F15 (1)
Weight, g/mol:	302.024895
ΔH_f, kcal/mol:	-56.93
Dipole, Da:	2.91
IP(EA), eV:	-8.82(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-oxo-1,3-benzoxathiol-5-yl) 2-methoxybenzoate

Drug info:

PubChemData

Smile

C1CC2=C(C1)SC3=C2C(=O)OC(=N3)C4=CC=CC=C4F

DOS

IR

Vibrations