Geometry & MOs

Info

ID:	301234
PubChem CID:	123071354
Reduced:	FSO2N4H25C26 (1)
Stoich.:	ABC2D4E25F26 (1)
Weight, g/mol:	370.126361
ΔH_f, kcal/mol:	27.21
Dipole, Da:	10.91
IP(EA), eV:	-8.83(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-1-(3-ethoxyphenyl)-N-[3-[(4-fluorophenyl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-yl]methanimine

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)COC2=C(C=CC=C2OC)/C=N\N3C(=NN=C3SCC4=CC=C(C=C4)F)C

DOS

IR

Vibrations