Geometry & MOs

Info

ID:	201775
PubChem CID:	79580834
Reduced:	ClN2O5H11C12 (1)
Stoich.:	AB2C5D11E12 (1)
Weight, g/mol:	324.994235
ΔH_f, kcal/mol:	-120.29
Dipole, Da:	6.03
IP(EA), eV:	-10.52(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-(6-chloro-1,3-benzodioxol-5-yl)-2-methylpropane-1-sulfonamide

Drug info:

PubChemData

Smile

C1CC(=O)N(C1C(=O)O)CC2=C(C=CC(=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations