Geometry & MOs

Info

ID:	356204
PubChem CID:	127291240
Reduced:	SO2N3C20H27 (1)
Stoich.:	AB2C3D20E27 (1)
Weight, g/mol:	375.198048
ΔH_f, kcal/mol:	-58.64
Dipole, Da:	2.47
IP(EA), eV:	-8.75(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(C1)C(=O)N2CSCC2C(=O)NCCN3CCC4=CC=CC=C4C3

DOS

IR

Vibrations