Geometry & MOs

Info

ID:	301673
PubChem CID:	123091378
Reduced:	ClFSO2N4C22H24 (1)
Stoich.:	ABCD2E4F22G24 (1)
Weight, g/mol:	490.160553
ΔH_f, kcal/mol:	-18.76
Dipole, Da:	7.46
IP(EA), eV:	-8.74(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-1-(3-chloro-5-ethoxy-4-propoxyphenyl)-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)Cl)OC)OCC)SCC3=CC(=CC=C3)F

DOS

IR

Vibrations