Geometry & MOs

Info

ID:	147678
PubChem CID:	53787335
Reduced:	NSF3O3C9H10 (1)
Stoich.:	ABC3D3E9F10 (1)
Weight, g/mol:	288.099774
ΔH_f, kcal/mol:	-266.63
Dipole, Da:	5.69
IP(EA), eV:	-10.24(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-ethoxycarbonyl-5-oxocyclohexen-1-yl) benzoate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C(F)(F)F)CCNS(=O)(=O)O

DOS

IR

Vibrations