Geometry & MOs

Info

ID:	301254
PubChem CID:	123071374
Reduced:	FSO2N4C19H19 (1)
Stoich.:	ABC2D4E19F19 (1)
Weight, g/mol:	344.090724
ΔH_f, kcal/mol:	-1.77
Dipole, Da:	10.88
IP(EA), eV:	-8.48(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-1-(4-fluorophenyl)-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=C(C=C(C=C2)OC)OC)SCC3=CC=C(C=C3)F

DOS

IR

Vibrations