Geometry & MOs

Info

ID:	383221
PubChem CID:	134974821
Reduced:	NO2C21H23 (1)
Stoich.:	AB2C21D23 (1)
Weight, g/mol:	392.998563
ΔH_f, kcal/mol:	-33.74
Dipole, Da:	5.9
IP(EA), eV:	-8.62(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-dithiolan-2-ylidene)-1-[2-(1,3-dithiolan-2-ylidene)-1-oxidoindol-1-ium-3-yl]propan-2-one

Drug info:

PubChemData

Smile

C1CCN(C1)/C(=C/C(=O)C2=CC=CC=C2)/CC(C3=CC=CC=C3)O

DOS

IR

Vibrations