Geometry & MOs

Info

ID:	42148
PubChem CID:	8149241
Reduced:	SO2N4C19H26 (1)
Stoich.:	AB2C4D19E26 (1)
Weight, g/mol:	389.110593
ΔH_f, kcal/mol:	-79.91
Dipole, Da:	2.74
IP(EA), eV:	-8.71(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1CCC2=C(C1)SC3=C2C(=O)NC(=N3)[C@H](C)N4CCN(CC4)C(=O)C

DOS

IR

Vibrations