Geometry & MOs

Info

ID:	301318
PubChem CID:	123071438
Reduced:	FSO2N4C22H25 (1)
Stoich.:	ABC2D4E22F25 (1)
Weight, g/mol:	456.199526
ΔH_f, kcal/mol:	-6.43
Dipole, Da:	6.49
IP(EA), eV:	-8.75(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)/C=N\N2C(=NN=C2SCC3=CC=C(C=C3)F)CC)OC

DOS

IR

Vibrations