Geometry & MOs

Info

ID:	159366
PubChem CID:	57269708
Reduced:	C2O2S2H3N3 (1)
Stoich.:	A2B2C2D3E3 (1)
Weight, g/mol:	465.172879
ΔH_f, kcal/mol:	-10.46
Dipole, Da:	1.1
IP(EA), eV:	-9.17(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-benzyl-7-(4-oxocyclohexa-2,5-dien-1-ylidene)-1,2-diphenylindolizin-3-one

Drug info:

PubChemData

Smile

C1=NNN=C1SS(=O)O

DOS

IR

Vibrations