Geometry & MOs

Info

ID:

427501

PubChem CID:

135159406

Reduced:

NO2H45C50 (1)

Stoich.:

AB2C45D50 (1)

Weight, g/mol:

542.210193

ΔHf, kcal/mol:

93.71

Dipole, Da:

5.1

IP(EA), eV:

 -7.84(-0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5',7-diphenylspiro[1,2,4a,8a,9a,10a-hexahydrothioxanthene-9,9'-2,3,4,4a-tetrahydrothioxanthene]

Drug info:

PubChemData

Smile

CC1CC=C(C2=C1N(C3=CC=CC=C32)C4=CCCC=C4)C5=CC6=C(CC5)OC7=C(C68C9=C(C=CCC9)OC1=CC=CC=C81)C=CC(C7)C1=CC=CCC1

DOS

IR

Vibrations