Geometry & MOs

Info

ID:	344710
PubChem CID:	127268298
Reduced:	N2S2O5C16H24 (1)
Stoich.:	A2B2C5D16E24 (1)
Weight, g/mol:	389.09668
ΔH_f, kcal/mol:	-193.16
Dipole, Da:	6.63
IP(EA), eV:	-9.24(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]thiane 1,1-dioxide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)CC3CCCO3

DOS

IR

Vibrations