Geometry & MOs

Info

ID:	301671
PubChem CID:	123091346
Reduced:	FOSN4C23H27 (1)
Stoich.:	ABCD4E23F27 (1)
Weight, g/mol:	473.153304
ΔH_f, kcal/mol:	14.18
Dipole, Da:	6.2
IP(EA), eV:	-8.85(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)/C=N\N2C(=NN=C2SCC3=CC(=CC=C3)F)CCC

DOS

IR

Vibrations