Geometry & MOs

Info

ID:	427463
PubChem CID:	135159123
Reduced:	NO6C9H13 (1)
Stoich.:	AB6C9D13 (1)
Weight, g/mol:	707.268043
ΔH_f, kcal/mol:	-230.77
Dipole, Da:	3.29
IP(EA), eV:	-10.15(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-cyclohexa-1,3-dien-1-yl-2-(6'-phenylspiro[1,2,4a,6,7,9a-hexahydrothioxanthene-9,9'-thioxanthene]-2'-yl)-1,2-dihydrocarbazole

Drug info:

PubChemData

Smile

C(CC(C=O)N(CC(=O)O)CC(=O)O)C=O

DOS

IR

Vibrations