Geometry & MOs

Info

ID:	36300
PubChem CID:	8001351
Reduced:	SN2O5C12H16 (1)
Stoich.:	AB2C5D12E16 (1)
Weight, g/mol:	405.118084
ΔH_f, kcal/mol:	-173.35
Dipole, Da:	5.26
IP(EA), eV:	-9.66(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone

Drug info:

PubChemData

Smile

CNS(=O)(=O)C1=CC=CC(=C1)C(=O)OCC(=O)N(C)C

DOS

IR

Vibrations