Geometry & MOs

Info

ID:

427489

PubChem CID:

135159331

Reduced:

NO2H17C23 (2)

Stoich.:

AB2C17D23 (2)

Weight, g/mol:

715.330643

ΔHf, kcal/mol:

75.99

Dipole, Da:

2.81

IP(EA), eV:

 -7.73(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-(2-cyclohexa-1,3-dien-1-ylspiro[1,2,3,4,5,6,7,8-octahydrothioxanthene-9,9'-3,4,4a,9a-tetrahydrothioxanthene]-3'-yl)-9-phenyl-1,2,3,4-tetrahydrocarbazole

Drug info:

PubChemData

Smile

C1CNC2=C1OC3=CC=CC(=C32)C4=CC5C(C=C4)C6(C7=C(C=C(C=C7)C8CC=CC9=C8C1=C(O9)C=CNC1)OC1=CC=CC=C16)C1=CC=CC=C1O5

DOS

IR

Vibrations