Geometry & MOs

Info

ID:	298481
PubChem CID:	117650137
Reduced:	SN2O3C27H30 (1)
Stoich.:	AB2C3D27E30 (1)
Weight, g/mol:	233.999823
ΔH_f, kcal/mol:	-57.12
Dipole, Da:	5.68
IP(EA), eV:	-8.37(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-3-methoxysulfonylbenzoic acid

Drug info:

PubChemData

Smile

CC1=CC=C2N1C3=CC=CC=C3OC24CCN(CC4)C(=O)C5=CC=C(C=C5)S(=O)C(C)(C)C

DOS

IR

Vibrations