Geometry & MOs

Info

ID:	42510
PubChem CID:	8149638
Reduced:	SO3N4C20H30 (1)
Stoich.:	AB3C4D20E30 (1)
Weight, g/mol:	407.211687
ΔH_f, kcal/mol:	-135.59
Dipole, Da:	2.97
IP(EA), eV:	-8.73(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

ethyl 4-[[6-methyl-5-[(2S)-2-methylbutyl]-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]piperazin-4-ium-1-carboxylate

Drug info:

PubChemData

Smile

CC[C@@H](C)CC1=C(SC2=C1C(=O)NC(=N2)CN3CCN(CC3)C(=O)OCC)C

DOS

IR

Vibrations