Geometry & MOs

Info

ID:	326883
PubChem CID:	126688550
Reduced:	SF2N4O4C23H24 (1)
Stoich.:	AB2C4D4E23F24 (1)
Weight, g/mol:	178.007588
ΔH_f, kcal/mol:	-173.01
Dipole, Da:	4.03
IP(EA), eV:	-8.6(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;3-fluoro-2-methylpropane-1-sulfonate

Drug info:

PubChemData

Smile

CS(=O)CCCN1C2=C(C=C(C=C2)N3CCOCC3=O)N=C1NC(=O)C4=CC=CC(=C4)C(F)F

DOS

IR

Vibrations