Geometry & MOs

Info

ID:	344668
PubChem CID:	127268256
Reduced:	S2N3O4C14H21 (1)
Stoich.:	A2B3C4D14E21 (1)
Weight, g/mol:	329.07555
ΔH_f, kcal/mol:	-111.62
Dipole, Da:	3.1
IP(EA), eV:	-8.71(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiane 1,1-dioxide

Drug info:

PubChemData

Smile

CN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)S(=O)(=O)NC3CC3

DOS

IR

Vibrations