Geometry & MOs

Info

ID:	344711
PubChem CID:	127268299
Reduced:	NS2O6C16H23 (1)
Stoich.:	AB2C6D16E23 (1)
Weight, g/mol:	391.108959
ΔH_f, kcal/mol:	-229.28
Dipole, Da:	8.27
IP(EA), eV:	-8.48(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline

Drug info:

PubChemData

Smile

COC1=C(C=C2CN(CCC2=C1)S(=O)(=O)C3CCS(=O)(=O)CC3)OC

DOS

IR

Vibrations