Geometry & MOs

Info

ID:

427486

PubChem CID:

135159321

Reduced:

NS2H45C49 (1)

Stoich.:

AB2C45D49 (1)

Weight, g/mol:

556.225844

ΔHf, kcal/mol:

176.2

Dipole, Da:

1.49

IP(EA), eV:

 -7.92(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3'-(4-methylcyclohexa-1,5-dien-1-yl)-6-phenylspiro[2,3,8a,10a-tetrahydrothioxanthene-9,9'-3,4,4a,9a-tetrahydrothioxanthene]

Drug info:

PubChemData

Smile

C1CC=C2C(C1)SC3C=CC=CC3C24C5C=C(C=CC5SC6=C4C=C(CC6)C7=CC=CCC7)C8=CC9=C(C=C8)N(C1=C9CCC=C1)C1=CC=CC=C1

DOS

IR

Vibrations