Geometry & MOs

Info

ID:	427503
PubChem CID:	135159408
Reduced:	NO2H45C49 (1)
Stoich.:	AB2C45D49 (1)
Weight, g/mol:	534.147593
ΔH_f, kcal/mol:	79.01
Dipole, Da:	3.49
IP(EA), eV:	-7.88(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4'-cyclohexa-2,4-dien-1-yl-3-phenyl-9,9'-spirobi[thioxanthene]

Drug info:

PubChemData

Smile

C1CCC(=CC1)C2=CCCC3=C2C4(C5CC=CC=C5OC6=C4C=CCC6)C7=C(O3)C=C(C=C7)C8=CCCC9=C8C1=CC=CC=C1N9C1=CC=CCC1

DOS

IR

Vibrations