Geometry & MOs

Info

ID:	211964
PubChem CID:	81058989
Reduced:	OSN2C13H28 (1)
Stoich.:	ABC2D13E28 (1)
Weight, g/mol:	301.098394
ΔH_f, kcal/mol:	-61.73
Dipole, Da:	2.23
IP(EA), eV:	-8.5(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[methyl(2-propan-2-yloxyethyl)sulfamoyl]benzoic acid

Drug info:

PubChemData

Smile

CCOCCN(C)C1(CSCCC1(C)C)CN

DOS

IR

Vibrations