Geometry & MOs

Info

ID:	398192
PubChem CID:	135032250
Reduced:	HNSI2C5 (1)
Stoich.:	ABCD2E5 (1)
Weight, g/mol:	259.120843
ΔH_f, kcal/mol:	97.75
Dipole, Da:	3.57
IP(EA), eV:	-9.77(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(13-oxo-1-azatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-trien-4-yl) acetate

Drug info:

PubChemData

Smile

C1=C(SC(=C1C#N)I)I

DOS

IR

Vibrations