Geometry & MOs

Info

ID:	278136
PubChem CID:	103833663
Reduced:	NSO4C15H23 (1)
Stoich.:	ABC4D15E23 (1)
Weight, g/mol:	319.054815
ΔH_f, kcal/mol:	-159.87
Dipole, Da:	5.21
IP(EA), eV:	-9.7(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(3-methylsulfinylpropylsulfamoyl)benzoate

Drug info:

PubChemData

Smile

CC(CNS(=O)(=O)C1=CC=CC=C1C(=O)OC)C(C)(C)C

DOS

IR

Vibrations