Geometry & MOs

Info

ID:	345021
PubChem CID:	127268781
Reduced:	NS2O4C17H25 (1)
Stoich.:	AB2C4D17E25 (1)
Weight, g/mol:	359.086115
ΔH_f, kcal/mol:	-152.44
Dipole, Da:	7.33
IP(EA), eV:	-9.69(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]thiane 1,1-dioxide

Drug info:

PubChemData

Smile

C1CC(C1)CN(CC2=CC=CC=C2)S(=O)(=O)C3CCS(=O)(=O)CC3

DOS

IR

Vibrations