Geometry & MOs

Info

ID:	356202
PubChem CID:	127291238
Reduced:	SO2N4C18H20 (1)
Stoich.:	AB2C4D18E20 (1)
Weight, g/mol:	387.198048
ΔH_f, kcal/mol:	-7.54
Dipole, Da:	2.85
IP(EA), eV:	-8.83(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(cyclopentanecarbonyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CC(C1)C(=O)N2CSCC2C(=O)N3CCN4C3=NC5=CC=CC=C54

DOS

IR

Vibrations