Geometry & MOs

Info

ID:	352728
PubChem CID:	127283817
Reduced:	SN3O3C15H15 (1)
Stoich.:	AB3C3D15E15 (1)
Weight, g/mol:	352.145678
ΔH_f, kcal/mol:	-26.96
Dipole, Da:	10.15
IP(EA), eV:	-8.76(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-oxo-1,4-thiazinan-4-yl)ethanone

Drug info:

PubChemData

Smile

C1CS(=O)CCN1CC2=NC(=O)C3=C(N2)C4=CC=CC=C4O3

DOS

IR

Vibrations