Geometry & MOs

Info

ID:	356399
PubChem CID:	127291472
Reduced:	SN3O3C18H29 (1)
Stoich.:	AB3C3D18E29 (1)
Weight, g/mol:	375.198048
ΔH_f, kcal/mol:	-139.82
Dipole, Da:	5.49
IP(EA), eV:	-9.19(-0.23)
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-methylbutanoyl)-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)N1CSCC1C(=O)NC2CCN(CC2)C(=O)C3CC3

DOS

IR

Vibrations