Geometry & MOs

Info

ID:	241809
PubChem CID:	96024323
Reduced:	SN2O4C17H18 (1)
Stoich.:	AB2C4D17E18 (1)
Weight, g/mol:	272.13472
ΔH_f, kcal/mol:	-111.95
Dipole, Da:	3.11
IP(EA), eV:	-8.63(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(1S)-7,8-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]-2,4-dimethyl-1,3-thiazole

Drug info:

PubChemData

Smile

CCS(=O)(=O)NC1=CC=CC(=C1)C(=O)N2CCOC3=CC=CC=C32

DOS

IR

Vibrations