Geometry & MOs

Info

ID:	358055
PubChem CID:	127295600
Reduced:	NSO4C18H23 (1)
Stoich.:	ABC4D18E23 (1)
Weight, g/mol:	388.112664
ΔH_f, kcal/mol:	-134.68
Dipole, Da:	6.67
IP(EA), eV:	-9.03(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-cyclopropyl-3-N-methyl-3-N-(oxan-3-ylmethyl)benzene-1,3-disulfonamide

Drug info:

PubChemData

Smile

CN(CC1CCCOC1)S(=O)(=O)C2=CC=C(C3=CC=CC=C32)OC

DOS

IR

Vibrations