Geometry & MOs

Info

ID:	441832
PubChem CID:	135245536
Reduced:	BrOSF4N5C24H30 (1)
Stoich.:	ABCD4E5F24G30 (1)
Weight, g/mol:	739.298748
ΔH_f, kcal/mol:	-124.79
Dipole, Da:	2.08
IP(EA), eV:	-8.63(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methylcyclohexa-1,5-dien-1-yl)-4-phenyl-6-[10-(9,9'-spirobi[fluorene]-2-yl)phenanthren-9-yl]-1,3,5-triazine

Drug info:

PubChemData

Smile

CC/C=C(\SC(C)(C)C1=CN=C(C=C1)C(C(CN(CC)NN=NC)(C2=C(C=C(C=C2)F)F)O)(F)F)/Br

DOS

IR

Vibrations