Geometry & MOs

Info

ID:	301642
PubChem CID:	123089867
Reduced:	SCl2O4N5H17C19 (1)
Stoich.:	AB2C4D5E17F19 (1)
Weight, g/mol:	470.01378
ΔH_f, kcal/mol:	37.35
Dipole, Da:	5.25
IP(EA), eV:	-9.16(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC(=CC(=C1OC)[N+](=O)[O-])/C=N\N2C=NN=C2SCC3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations