Geometry & MOs

Info

ID:	310142
PubChem CID:	126575216
Reduced:	NO3F4H13C19 (1)
Stoich.:	AB3C4D13E19 (1)
Weight, g/mol:	497.025052
ΔH_f, kcal/mol:	-237.29
Dipole, Da:	12.39
IP(EA), eV:	-10.13(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(4-ethenylnaphthalen-1-yl)oxysulfonylethoxy]-2-fluoro-5-nitrobenzenesulfonic acid

Drug info:

PubChemData

Smile

C1CCOC(C1)C2=CC(=C(C(=C2)F)C(=O)OC3=CC(=C(C(=C3)F)C#N)F)F

DOS

IR

Vibrations