Geometry & MOs

Info

ID:	301257
PubChem CID:	123071377
Reduced:	FSN5C19H20 (1)
Stoich.:	ABC5D19E20 (1)
Weight, g/mol:	370.126361
ΔH_f, kcal/mol:	83.45
Dipole, Da:	10.64
IP(EA), eV:	-8.71(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN=C(N1/N=C\C2=CC=C(C=C2)N(C)C)SCC3=CC=C(C=C3)F

DOS

IR

Vibrations