Geometry & MOs

Info

ID:	301308
PubChem CID:	123071428
Reduced:	FSO2N4C22H25 (1)
Stoich.:	ABC2D4E22F25 (1)
Weight, g/mol:	414.152575
ΔH_f, kcal/mol:	-5.99
Dipole, Da:	6.98
IP(EA), eV:	-8.69(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCOC1=C(C=CC=C1OC)/C=N\N2C(=NN=C2SCC3=CC=C(C=C3)F)CC

DOS

IR

Vibrations