Geometry & MOs

Info

ID:	149263
PubChem CID:	53788935
Reduced:	SO4C17H24 (1)
Stoich.:	AB4C17D24 (1)
Weight, g/mol:	519.143035
ΔH_f, kcal/mol:	-146.36
Dipole, Da:	3.77
IP(EA), eV:	-8.26(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4,6-bis(6-oxocyclohexa-2,4-dien-1-ylidene)-1,3,5-triazinan-2-ylidene]-3,4,5-tris(prop-2-ynoxy)cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CCC1C(O1)(CCCCCCOC2=CC=CC=C2S)C(=O)O

DOS

IR

Vibrations