Geometry & MOs

Info

ID:	130565
PubChem CID:	51091291
Reduced:	SO3N5C12H15 (1)
Stoich.:	AB3C5D12E15 (1)
Weight, g/mol:	330.103814
ΔH_f, kcal/mol:	-51.05
Dipole, Da:	3.13
IP(EA), eV:	-9.7(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-methoxyphenyl)-2-(3-methoxypropyl)-3H-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1=CN=C(C=C1C(=O)NCCCS(=O)(=O)N)N2C=CN=C2

DOS

IR

Vibrations