Geometry & MOs

Info

ID:	1253
PubChem CID:	4047
Reduced:	ClN2S2O5C13H19 (1)
Stoich.:	AB2C2D5E13F19 (1)
Weight, g/mol:	382.042392
ΔH_f, kcal/mol:	-185.51
Dipole, Da:	3.67
IP(EA), eV:	-9.34(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-1-N-methyl-1-N-[(2-methyloxolan-2-yl)methyl]benzene-1,3-disulfonamide

Drug info:

PubChemData

Smile

CC1(CCCO1)CN(C)S(=O)(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N

DOS

IR

Vibrations