Geometry & MOs

Info

ID:	396870
PubChem CID:	135029368
Reduced:	O2N3H15C16 (1)
Stoich.:	A2B3C15D16 (1)
Weight, g/mol:	896.577732
ΔH_f, kcal/mol:	12.59
Dipole, Da:	6.75
IP(EA), eV:	-8.6(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	-2

Chem-info

IUPAC name:

2,6-ditert-butyl-4-[2-(3,5-ditert-butyl-4-oxidophenyl)-4,5-bis(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)thiophen-3-yl]phenolate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)OC2=NC=NC3=C2N4CCCC4=C3

DOS

IR

Vibrations