Geometry & MOs

Info

ID:	301676
PubChem CID:	123091409
Reduced:	ClFSO2N4C21H22 (1)
Stoich.:	ABCD2E4F21G22 (1)
Weight, g/mol:	462.129253
ΔH_f, kcal/mol:	-8.9
Dipole, Da:	3.45
IP(EA), eV:	-8.88(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC1=NN=C(N1N/C=C/2\C=C(C(=O)C(=C2)Cl)OCC)SCC3=CC(=CC=C3)F

DOS

IR

Vibrations