Geometry & MOs

Info

ID:	42150
PubChem CID:	8149243
Reduced:	OSN2C9H10 (2)
Stoich.:	ABC2D9E10 (2)
Weight, g/mol:	389.110593
ΔH_f, kcal/mol:	-23.84
Dipole, Da:	5.85
IP(EA), eV:	-8.73(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[(1R)-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](C1=NC2=C(C(=CS2)C3=CC=CS3)C(=O)N1)N4CCN(CC4)C(=O)C

DOS

IR

Vibrations