Geometry & MOs

Info

ID:	31707
PubChem CID:	859011
Reduced:	SN3C8H17 (1)
Stoich.:	AB3C8D17 (1)
Weight, g/mol:	282.047442
ΔH_f, kcal/mol:	5.33
Dipole, Da:	5.35
IP(EA), eV:	-8.33(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C(=S)NC

DOS

IR

Vibrations