Geometry & MOs

Info

ID:	301596
PubChem CID:	123087513
Reduced:	SO2N4C25H26 (1)
Stoich.:	AB2C4D25E26 (1)
Weight, g/mol:	494.177647
ΔH_f, kcal/mol:	63.04
Dipole, Da:	5.73
IP(EA), eV:	-8.47(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-1-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]-N-[3-(naphthalen-1-ylmethylsulfanyl)-1,2,4-triazol-4-yl]methanimine

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)/C=N\N2C=NN=C2SCC3=CC=CC4=CC=CC=C43)OCC

DOS

IR

Vibrations