Geometry & MOs

Info

ID:	296637
PubChem CID:	117586511
Reduced:	ClOSN4C9H9 (1)
Stoich.:	ABCD4E9F9 (1)
Weight, g/mol:	268.07941
ΔH_f, kcal/mol:	46.7
Dipole, Da:	4.94
IP(EA), eV:	-9.44(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-ethoxy-3-fluorophenyl)ethyl]thiatriazol-5-amine

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)CNC2=NN=NS2)Cl

DOS

IR

Vibrations