Geometry & MOs

Info

ID:	301606
PubChem CID:	123087788
Reduced:	SO4N5C26H27 (1)
Stoich.:	AB4C5D26E27 (1)
Weight, g/mol:	488.224597
ΔH_f, kcal/mol:	54.42
Dipole, Da:	6.29
IP(EA), eV:	-8.52(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-1-(3-ethoxy-4-pentoxyphenyl)-N-[3-methyl-5-(naphthalen-1-ylmethylsulfanyl)-1,2,4-triazol-4-yl]methanimine

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1OCC)/C=N\N2C(=NN=C2SCC3=CC=CC4=CC=CC=C43)C)[N+](=O)[O-]

DOS

IR

Vibrations