Geometry & MOs

Info

ID:	301566
PubChem CID:	123086005
Reduced:	SO2N4C28H38 (1)
Stoich.:	AB2C4D28E38 (1)
Weight, g/mol:	469.178376
ΔH_f, kcal/mol:	-1.46
Dipole, Da:	6.03
IP(EA), eV:	-8.41(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-1-(2,4-dimethoxy-5-nitrophenyl)-N-[3-[(2,5-dimethylphenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-yl]methanimine

Drug info:

PubChemData

Smile

CCCCCOC1=C(C=C(C=C1)/C=N\N2C(=NN=C2SCC3=C(C=CC(=C3)C)C)CCC)OCC

DOS

IR

Vibrations