Geometry & MOs

Info

ID:	89265
PubChem CID:	49960169
Reduced:	SBr2N2O2H10C17 (1)
Stoich.:	AB2C2D2E10F17 (1)
Weight, g/mol:	557.85712
ΔH_f, kcal/mol:	60.35
Dipole, Da:	5.27
IP(EA), eV:	-8.95(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1,6-dibromonaphthalen-2-yl)oxymethyl]-5-[(2,4-dichlorophenoxy)methyl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

C1=CSC(=C1)C2=NN=C(O2)COC3=C(C4=C(C=C3)C=C(C=C4)Br)Br

DOS

IR

Vibrations