Geometry & MOs

Info

ID:	427485
PubChem CID:	135159317
Reduced:	ON2H14C18 (1)
Stoich.:	AB2C14D18 (1)
Weight, g/mol:	711.299343
ΔH_f, kcal/mol:	53.09
Dipole, Da:	4.93
IP(EA), eV:	-8.11(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(7'-cyclohexa-1,3-dien-1-ylspiro[2,3,4,4a,8a,10a-hexahydrothioxanthene-9,9'-4a,5,6,9a-tetrahydrothioxanthene]-2'-yl)-9-phenyl-3,4-dihydrocarbazole

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N(C3=C(O2)C=NC=C3)C4=CC=CC=C4

DOS

IR

Vibrations