Geometry & MOs

Info

ID:	199005
PubChem CID:	79187014
Reduced:	FSO4C12H13 (1)
Stoich.:	ABC4D12E13 (1)
Weight, g/mol:	289.042022
ΔH_f, kcal/mol:	-182.21
Dipole, Da:	2.41
IP(EA), eV:	-10.04(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-4-[3-(methylamino)-3-oxopropyl]sulfonylbenzoic acid

Drug info:

PubChemData

Smile

CCC(=C)CS(=O)(=O)C1=C(C=C(C=C1)C(=O)O)F

DOS

IR

Vibrations