Geometry & MOs

Info

ID:	42134
PubChem CID:	8149225
Reduced:	SN3O4C16H21 (1)
Stoich.:	AB3C4D16E21 (1)
Weight, g/mol:	348.084044
ΔH_f, kcal/mol:	-154.75
Dipole, Da:	4.59
IP(EA), eV:	-9.05(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)[C@H](C)N3CCOCC3)C

DOS

IR

Vibrations