Geometry & MOs

Info

ID:	208964
PubChem CID:	80607838
Reduced:	SN6C9H10 (1)
Stoich.:	AB6C9D10 (1)
Weight, g/mol:	301.045189
ΔH_f, kcal/mol:	121.05
Dipole, Da:	5.55
IP(EA), eV:	-9.24(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2-chloro-4-fluorophenoxy)methyl]-N-propyl-1,3,4-thiadiazol-2-amine

Drug info:

PubChemData

Smile

CCNC1=NN=C(S1)CN2C=CN=C2C#N

DOS

IR

Vibrations