Geometry & MOs

Info

ID:	195228
PubChem CID:	78660684
Reduced:	SN2O5C20H20 (1)
Stoich.:	AB2C5D20E20 (1)
Weight, g/mol:	330.014427
ΔH_f, kcal/mol:	-103.31
Dipole, Da:	5.23
IP(EA), eV:	-8.99(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1,1-dioxothiolan-3-ol

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=CC=C1)OCC(CSC2=NN=C(O2)C3=CC=C(C=C3)OC)O

DOS

IR

Vibrations