Geometry & MOs

Info

ID:	220602
PubChem CID:	85197937
Reduced:	O5H16C20 (1)
Stoich.:	A5B16C20 (1)
Weight, g/mol:	335.060272
ΔH_f, kcal/mol:	-122.77
Dipole, Da:	6.48
IP(EA), eV:	-9.17(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-[2-(2-oxonaphthalen-1-ylidene)ethylidene]-8H-[1,2,4]triazino[3,4-b][1,3,4]thiadiazin-5-ium-4-one

Drug info:

PubChemData

Smile

CC1=CC(=O)C2=C(O1)C=C(C(=C2OC)C=CC(=O)C3=CC=CC=C3)O

DOS

IR

Vibrations