Geometry & MOs

Info

ID:	387868
PubChem CID:	134987203
Reduced:	OH6C8 (2)
Stoich.:	AB6C8 (2)
Weight, g/mol:	272.083078
ΔH_f, kcal/mol:	-22.69
Dipole, Da:	6.34
IP(EA), eV:	-9.44(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2,6-diethoxy-4-sulfanylidene-1H-pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

C1C2=CC=CC=C2C(=O)C=C1C3=CC=CC=C3O

DOS

IR

Vibrations