Geometry & MOs

Info

ID:	169328
PubChem CID:	75089853
Reduced:	N3O8C20H23 (1)
Stoich.:	A3B8C20D23 (1)
Weight, g/mol:	554.057007
ΔH_f, kcal/mol:	-249.82
Dipole, Da:	4.11
IP(EA), eV:	-9.2(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4,5-bis(pentylsulfanyl)-1,3-dithiol-2-ylidene]-5,7-dithiatetracyclo[9.2.1.02,10.04,8]tetradeca-4(8),12-diene-3,9-dione

Drug info:

PubChemData

Smile

C1CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)OCC3=CC(=NO3)COC4=CC=CC=C4

DOS

IR

Vibrations