Geometry & MOs

Info

ID:	46925
PubChem CID:	10528421
Reduced:	FeO2H24C30 (1)
Stoich.:	AB2C24D30 (1)
Weight, g/mol:	471.01533
ΔH_f, kcal/mol:	81.74
Dipole, Da:	2.1
IP(EA), eV:	-8.05(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-3-(5-bromo-3-phenylindol-2-ylidene)-6-phenyl-2H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2(C=CC3=C(O2)C4=CC=CC=C4C=C3)[C]5[CH][CH][CH][CH]5.[CH]1[CH][CH][CH][CH]1.[Fe+2]

DOS

IR

Vibrations