Geometry & MOs

Info

ID:	85497
PubChem CID:	49876078
Reduced:	BrFSO2N4C23H24 (1)
Stoich.:	ABCD2E4F23G24 (1)
Weight, g/mol:	262.077599
ΔH_f, kcal/mol:	-50.54
Dipole, Da:	5.27
IP(EA), eV:	-9.19(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1,2,3,4-tetrahydronaphthalen-2-yloxymethyl)-3H-1,3,4-oxadiazole-2-thione

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)Br)F)COC3CCC4=CC=CC=C4C3

DOS

IR

Vibrations