Geometry & MOs

Info

ID:	340459
PubChem CID:	127262470
Reduced:	NSCl2O2H7C13 (1)
Stoich.:	ABC2D2E7F13 (1)
Weight, g/mol:	272.071845
ΔH_f, kcal/mol:	-31.01
Dipole, Da:	5.93
IP(EA), eV:	-8.65(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methylbutan-2-yl 1,3-benzodioxole-4-sulfonate

Drug info:

PubChemData

Smile

C1=C/C(=C/2\NC3=CC(=C(C=C3S2)Cl)Cl)/C(=CC1=O)O

DOS

IR

Vibrations