Geometry & MOs

Info

ID:	196441
PubChem CID:	78827209
Reduced:	OSN2H9C10 (2)
Stoich.:	ABC2D9E10 (2)
Weight, g/mol:	410.087118
ΔH_f, kcal/mol:	37.49
Dipole, Da:	3.56
IP(EA), eV:	-8.55(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dimethyl-2-[(5-phenyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CN1C(=O)C2=C(N=C1SCC3=NOC(=N3)C4=CC=CC=C4)SC5=C2CCCC5

DOS

IR

Vibrations