Geometry & MOs

Info

ID:	350961
PubChem CID:	127279271
Reduced:	NSO5C19H19 (1)
Stoich.:	ABC5D19E19 (1)
Weight, g/mol:	387.08103
ΔH_f, kcal/mol:	-132.67
Dipole, Da:	4.19
IP(EA), eV:	-8.78(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]sulfonylthiane 1,1-dioxide

Drug info:

PubChemData

Smile

C1CC(N(C1)S(=O)(=O)C2=CC3=C(COC3)C=C2)C4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations