Geometry & MOs

Info

ID:	42731
PubChem CID:	8149925
Reduced:	OS2N3C20H23 (1)
Stoich.:	AB2C3D20E23 (1)
Weight, g/mol:	380.164402
ΔH_f, kcal/mol:	14.04
Dipole, Da:	4.25
IP(EA), eV:	-8.63(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-methoxyethyl 5-methyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C1=NC2=C(C(=CS2)C3=CC=CS3)C(=O)N1)NCCC4=CCCCC4

DOS

IR

Vibrations