Geometry & MOs

Info

ID:	356400
PubChem CID:	127291473
Reduced:	SO2N3C20H29 (1)
Stoich.:	AB2C3D20E29 (1)
Weight, g/mol:	389.213698
ΔH_f, kcal/mol:	-80.3
Dipole, Da:	2.75
IP(EA), eV:	-8.76(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)C(=O)N1CSCC1C(=O)NCCN2CCC3=CC=CC=C3C2

DOS

IR

Vibrations