Geometry & MOs

Info

ID:	426414
PubChem CID:	135143936
Reduced:	SO9C17H26 (1)
Stoich.:	AB9C17D26 (1)
Weight, g/mol:	733.337836
ΔH_f, kcal/mol:	-361.47
Dipole, Da:	1.96
IP(EA), eV:	-9.22(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(N-[6-(7-tert-butyldibenzofuran-1-yl)-9,9-dimethylfluoren-2-yl]-4-phenylanilino)phenyl]propane-2-thiol

Drug info:

PubChemData

Smile

COC1C(C(OC(C1OCC2=CC=CC=C2)OC)COCCS(=O)(=O)O)O

DOS

IR

Vibrations