Geometry & MOs

Info

ID:	301284
PubChem CID:	123071404
Reduced:	FSO4N5H16C18 (1)
Stoich.:	ABC4D5E16F18 (1)
Weight, g/mol:	490.183875
ΔH_f, kcal/mol:	0.2
Dipole, Da:	7.57
IP(EA), eV:	-9.6(-2.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NN=C(N1N/C=C/2\C=C(C(=O)C=C2O)[N+](=O)[O-])SCC3=CC=C(C=C3)F

DOS

IR

Vibrations