Geometry & MOs

Info

ID:	207608
PubChem CID:	80426540
Reduced:	ClON2S2H7C10 (1)
Stoich.:	ABC2D2E7F10 (1)
Weight, g/mol:	253.998383
ΔH_f, kcal/mol:	34.75
Dipole, Da:	3.83
IP(EA), eV:	-9.36(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-fluoro-4-(1,2,4-thiadiazol-5-ylsulfanyl)phenyl]ethanone

Drug info:

PubChemData

Smile

CC(=O)C1=C(C=C(C=C1)SC2=NC=NS2)Cl

DOS

IR

Vibrations