Geometry & MOs

Info

ID:	16864
PubChem CID:	477959
Reduced:	SN2O2C12H12 (1)
Stoich.:	AB2C2D12E12 (1)
Weight, g/mol:	248.061949
ΔH_f, kcal/mol:	-5.66
Dipole, Da:	2.62
IP(EA), eV:	-8.37(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,5-dimethoxyphenyl)sulfanylpyrimidine

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)SC2=NC=CC=N2

DOS

IR

Vibrations