Geometry & MOs

Info

ID:	204514
PubChem CID:	79975392
Reduced:	SBr2F2H10C13 (1)
Stoich.:	AB2C2D10E13 (1)
Weight, g/mol:	196.030649
ΔH_f, kcal/mol:	-50.9
Dipole, Da:	2.69
IP(EA), eV:	-9.14(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-ethylthiophen-2-yl)-3H-1,3,4-oxadiazol-2-one

Drug info:

PubChemData

Smile

CCC1=C(SC=C1)C(C2=CC(=C(C=C2F)Br)F)Br

DOS

IR

Vibrations