Geometry & MOs

Info

ID:	46970
PubChem CID:	10528707
Reduced:	ClNF2O3C26H32 (1)
Stoich.:	ABC2D3E26F32 (1)
Weight, g/mol:	479.85366
ΔH_f, kcal/mol:	-233.86
Dipole, Da:	7.85
IP(EA), eV:	-8.73(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4-[4-[4-(4-bromo-1,2,5-thiadiazol-3-yl)phenyl]phenyl]-1,2,5-thiadiazole

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]1CCC[NH+](C1)CCOC=C(C2=C(C=C(C=C2)F)C)C3=C(C=C(C=C3)F)C.[Cl-]

DOS

IR

Vibrations