Geometry & MOs

Info

ID:	197923
PubChem CID:	79016827
Reduced:	ClOSN2C14H17 (1)
Stoich.:	ABCD2E14F17 (1)
Weight, g/mol:	231.991818
ΔH_f, kcal/mol:	-14.74
Dipole, Da:	3.03
IP(EA), eV:	-8.14(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Cl)OC)NCC2=NC(=C(S2)C)C

DOS

IR

Vibrations