Geometry & MOs

Info

ID:	42844
PubChem CID:	8150088
Reduced:	OSN3H23C24 (1)
Stoich.:	ABC3D23E24 (1)
Weight, g/mol:	424.154232
ΔH_f, kcal/mol:	19.66
Dipole, Da:	2.08
IP(EA), eV:	-8.53(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C(SC3=C2C(=O)NC(=N3)CNC4=CC5=C(CCC5)C=C4)C

DOS

IR

Vibrations