Geometry & MOs

Info

ID:	350391
PubChem CID:	127277731
Reduced:	S2O3N4C15H20 (1)
Stoich.:	A2B3C4D15E20 (1)
Weight, g/mol:	375.198048
ΔH_f, kcal/mol:	-88.39
Dipole, Da:	6.03
IP(EA), eV:	-9.07(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(=O)N1CSCC1C(=O)N2CCCC2C(=O)NC3=NC=CS3

DOS

IR

Vibrations