Geometry & MOs

Info

ID:	301672
PubChem CID:	123091375
Reduced:	FSO4N5C22H24 (1)
Stoich.:	ABC4D5E22F24 (1)
Weight, g/mol:	462.129253
ΔH_f, kcal/mol:	-7.93
Dipole, Da:	12.54
IP(EA), eV:	-8.7(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-1-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-[3-[(3-fluorophenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-yl]methanimine

Drug info:

PubChemData

Smile

CCCC1=NN=C(N1/N=C\C2=CC(=C(C(=C2)OCC)OC)[N+](=O)[O-])SCC3=CC(=CC=C3)F

DOS

IR

Vibrations