Geometry & MOs

Info

ID:	199004
PubChem CID:	79186980
Reduced:	SO2N3C12H25 (1)
Stoich.:	AB2C3D12E25 (1)
Weight, g/mol:	272.051858
ΔH_f, kcal/mol:	-111.32
Dipole, Da:	2.49
IP(EA), eV:	-9.38(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-4-(2-methylidenebutylsulfonyl)benzoic acid

Drug info:

PubChemData

Smile

CC1CN(CC1C)S(=O)(=O)N2CCCC(C2)CN

DOS

IR

Vibrations