Geometry & MOs

Info

ID:	161593
PubChem CID:	57392089
Reduced:	O2S2N3H13C21 (1)
Stoich.:	A2B2C3D13E21 (1)
Weight, g/mol:	371.019847
ΔH_f, kcal/mol:	90.9
Dipole, Da:	5.66
IP(EA), eV:	-9.12(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorophenyl)-2-[[5-(3-isothiocyanatophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)C(=O)CSC3=NN=C(O3)C4=CC(=CC=C4)N=C=S

DOS

IR

Vibrations