Geometry & MOs

Info

ID:	133048
PubChem CID:	51468047
Reduced:	SN3O3H23C24 (1)
Stoich.:	AB3C3D23E24 (1)
Weight, g/mol:	434.153838
ΔH_f, kcal/mol:	-17.84
Dipole, Da:	3.92
IP(EA), eV:	-8.18(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

7-[[(1R)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

Drug info:

PubChemData

Smile

COC1=C(C=C2[C@@H](N(CCC2=C1)CC3=CC(=O)N4C=CSC4=N3)C5=CC=CC=C5)OC

DOS

IR

Vibrations