Geometry & MOs

Info

ID:	42738
PubChem CID:	8149935
Reduced:	SN3O3C18H25 (1)
Stoich.:	AB3C3D18E25 (1)
Weight, g/mol:	360.12043
ΔH_f, kcal/mol:	-132.42
Dipole, Da:	6.06
IP(EA), eV:	-8.97(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[(1S)-1-(4-methylpiperidin-1-ium-1-yl)ethyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)[C@H](C)N3CCC(CC3)C)C

DOS

IR

Vibrations