Geometry & MOs

Info

ID:	401778
PubChem CID:	135052517
Reduced:	SeO2N3H11C16 (1)
Stoich.:	AB2C3D11E16 (1)
Weight, g/mol:	807.78214
ΔH_f, kcal/mol:	72.88
Dipole, Da:	2.8
IP(EA), eV:	-8.61(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[2-[[2-[(4-bromobenzoyl)amino]phenyl]ditellanyl]phenyl]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C([Se]C(=N2)[N+]#N)C3=CC=CC=C3.C(=O)[O-]

DOS

IR

Vibrations