Geometry & MOs

Info

ID:	396819
PubChem CID:	135029275
Reduced:	OC18H22 (1)
Stoich.:	AB18C22 (1)
Weight, g/mol:	952.549803
ΔH_f, kcal/mol:	-24.05
Dipole, Da:	1.62
IP(EA), eV:	-9.38(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-ditert-butyl-4-[2,5,6-tris(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)thieno[3,2-b]thiophen-3-ylidene]cyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

CC(C)[C@H](CC(C1=CC=CC=C1)C2=CC=CC=C2)O

DOS

IR

Vibrations