Geometry & MOs

Info

ID:	288824
PubChem CID:	104326469
Reduced:	FOSN2C11H13 (1)
Stoich.:	ABCD2E11F13 (1)
Weight, g/mol:	322.024598
ΔH_f, kcal/mol:	-44.75
Dipole, Da:	1.27
IP(EA), eV:	-8.33(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-ethoxy-3-fluorophenyl)-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)NC2=NCCS2)F

DOS

IR

Vibrations