Geometry & MOs

Info

ID:	42887
PubChem CID:	8150141
Reduced:	OS2N3H21C23 (1)
Stoich.:	AB2C3D21E23 (1)
Weight, g/mol:	420.12043
ΔH_f, kcal/mol:	57.64
Dipole, Da:	3.79
IP(EA), eV:	-8.66(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[(1R)-1-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)ethyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C[C@@H](C1=NC2=C(C(=CS2)C3=CC=CS3)C(=O)N1)N4CCC(=CC4)C5=CC=CC=C5

DOS

IR

Vibrations