Geometry & MOs

Info

ID:	53550
PubChem CID:	14716586
Reduced:	NO3C28H29 (2)
Stoich.:	AB3C28D29 (2)
Weight, g/mol:	457.85482
ΔH_f, kcal/mol:	-184.4
Dipole, Da:	8.48
IP(EA), eV:	-8.72(-2.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1,3,4-tris(1,3-dithiol-2-ylidene)butan-2-ylidene]-1,3-dithiole

Drug info:

PubChemData

Smile

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NC3=C4C(=C(C=C3)O)C(=O)C5=C(C=CC(=C5C4=O)NC(=O)C6=CC=C(C=C6)C7=CC=C(C=C7)CCCCCCCC)O

DOS

IR

Vibrations