Geometry & MOs

Info

ID:	301608
PubChem CID:	123087794
Reduced:	ClSO2N4C25H25 (1)
Stoich.:	ABC2D4E25F25 (1)
Weight, g/mol:	494.154325
ΔH_f, kcal/mol:	50.34
Dipole, Da:	9.36
IP(EA), eV:	-8.51(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)/C=N\N2C(=NN=C2SCC3=CC=CC4=CC=CC=C43)C)Cl)OCC

DOS

IR

Vibrations