Geometry & MOs

Info

ID:	435092
PubChem CID:	135180275
Reduced:	SF2N3O3H13C16 (1)
Stoich.:	AB2C3D3E13F16 (1)
Weight, g/mol:	366.048584
ΔH_f, kcal/mol:	-124.6
Dipole, Da:	7.7
IP(EA), eV:	-8.51(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2,6-difluoro-3,5-dimethoxyphenyl)-2-methylsulfanylpyrano[3,4-d]pyrimidin-8-one

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1F)C2=CC3=CN=C(N=C3C(=O)N2)SC)F)OC

DOS

IR

Vibrations