Geometry & MOs

Info

ID:	25803
PubChem CID:	630970
Reduced:	IH3F6C8 (1)
Stoich.:	AB3C6D8 (1)
Weight, g/mol:	340.088164
ΔH_f, kcal/mol:	-282.05
Dipole, Da:	2.07
IP(EA), eV:	-10.22(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetate

Drug info:

PubChemData

Smile

C1=C(C=C(C=C1C(F)(F)F)I)C(F)(F)F

DOS

IR

Vibrations