Geometry & MOs

Info

ID:	278702
PubChem CID:	103837105
Reduced:	SN2O3C14H18 (1)
Stoich.:	AB2C3D14E18 (1)
Weight, g/mol:	291.057672
ΔH_f, kcal/mol:	-78.58
Dipole, Da:	4.28
IP(EA), eV:	-9.79(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-fluoro-2-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]benzoate

Drug info:

PubChemData

Smile

CC(C1CCOCC1)NS(=O)(=O)C2=CC=CC=C2C#N

DOS

IR

Vibrations