Geometry & MOs

Info

ID:	345891
PubChem CID:	127270191
Reduced:	N2O3C24H24 (1)
Stoich.:	A2B3C24D24 (1)
Weight, g/mol:	376.041519
ΔH_f, kcal/mol:	-84.33
Dipole, Da:	5.09
IP(EA), eV:	-9.16(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5,6-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-one

Drug info:

PubChemData

Smile

C1CCC2C(C1)C(=O)N(C2=O)CC(=O)N3CC4=CC=CC=C4C5=CC=CC=C5C3

DOS

IR

Vibrations