Geometry & MOs

Info

ID:	49484
PubChem CID:	11533099
Reduced:	FeSN2C28H28 (1)
Stoich.:	ABC2D28E28 (1)
Weight, g/mol:	480.154844
ΔH_f, kcal/mol:	111.96
Dipole, Da:	3.84
IP(EA), eV:	-7.22(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-phenyl-3-[4-(trifluoromethyl)phenyl]indene-1,1-dicarboxylate

Drug info:

PubChemData

Smile

C[C@H]1[C@@H](N=C(N1C)[C]2[CH][CH][CH][C]2SC3=CC=C(C=C3)C)C4=CC=CC=C4.[CH]1[CH][CH][CH][CH]1.[Fe+2]

DOS

IR

Vibrations