Geometry & MOs

Info

ID:	434109
PubChem CID:	135174267
Reduced:	SO3N5C27H37 (1)
Stoich.:	AB3C5D27E37 (1)
Weight, g/mol:	654.267114
ΔH_f, kcal/mol:	-73.53
Dipole, Da:	4.09
IP(EA), eV:	-8.74(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(5a,9a-dihydrodibenzofuran-4-yl)-3-[9-(3-phenylphenyl)-3,4-dihydrocarbazol-3-yl]carbazole

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)CNCC3CCNC3)OCCC4=CN=CN4

DOS

IR

Vibrations