Geometry & MOs

Info

ID:	431411
PubChem CID:	135171486
Reduced:	BrSO2N4C13H15 (1)
Stoich.:	ABC2D4E13F15 (1)
Weight, g/mol:	402.178379
ΔH_f, kcal/mol:	-2.45
Dipole, Da:	4.54
IP(EA), eV:	-8.7(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2-fluoro-7-methylfluorene

Drug info:

PubChemData

Smile

COC1=NC(=CN1C2=CSC(=N2)N3C4CCC3COC4)Br

DOS

IR

Vibrations