Geometry & MOs

Info

ID:	301228
PubChem CID:	123071347
Reduced:	FSN4H17C18 (1)
Stoich.:	ABC4D17E18 (1)
Weight, g/mol:	384.142011
ΔH_f, kcal/mol:	73.93
Dipole, Da:	8.78
IP(EA), eV:	-8.87(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-[3-[(4-fluorophenyl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-yl]-1-(2-propoxyphenyl)methanimine

Drug info:

PubChemData

Smile

CC1=CC=CC=C1/C=N\N2C(=NN=C2SCC3=CC=C(C=C3)F)C

DOS

IR

Vibrations