Geometry & MOs

Info

ID:	142121
PubChem CID:	52985590
Reduced:	SN3O5H19C20 (1)
Stoich.:	AB3C5D19E20 (1)
Weight, g/mol:	370.135114
ΔH_f, kcal/mol:	-132.52
Dipole, Da:	5.84
IP(EA), eV:	-9.49(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-phenylethylsulfonyl)-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)S(=O)(=O)N3CC4C5=CC=CC=C5CCN4C(=O)C3)OC1=O

DOS

IR

Vibrations