Geometry & MOs

Info

ID:	37793
PubChem CID:	8024500
Reduced:	F2N6H8C15 (1)
Stoich.:	A2B6C8D15 (1)
Weight, g/mol:	297.016117
ΔH_f, kcal/mol:	52.06
Dipole, Da:	6.68
IP(EA), eV:	-9.57(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-chloroprop-2-enylsulfanyl)-N-(2-methylphenyl)-1,3,4-thiadiazol-2-amine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)F)NC2=C(C(=C(C(=N2)N)C#N)CC#N)C#N

DOS

IR

Vibrations