Geometry & MOs

Info

ID:	301607
PubChem CID:	123087792
Reduced:	SO2N4C28H32 (1)
Stoich.:	AB2C4D28E32 (1)
Weight, g/mol:	480.138675
ΔH_f, kcal/mol:	41.46
Dipole, Da:	5.86
IP(EA), eV:	-8.5(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCOC1=C(C=C(C=C1)/C=N\N2C(=NN=C2SCC3=CC=CC4=CC=CC=C43)C)OCC

DOS

IR

Vibrations