Geometry & MOs

Info

ID:	42506
PubChem CID:	8149633
Reduced:	S2O3N4C19H22 (1)
Stoich.:	A2B3C4D19E22 (1)
Weight, g/mol:	419.121158
ΔH_f, kcal/mol:	-69.39
Dipole, Da:	4.27
IP(EA), eV:	-8.73(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

ethyl 4-[(1R)-1-(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]piperazin-4-ium-1-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)N1CCN(CC1)[C@@H](C)C2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2

DOS

IR

Vibrations