Geometry & MOs

Info

ID:	301609
PubChem CID:	123087795
Reduced:	ClSO2N4C26H27 (1)
Stoich.:	ABC2D4E26F27 (1)
Weight, g/mol:	480.06195
ΔH_f, kcal/mol:	44.61
Dipole, Da:	3.4
IP(EA), eV:	-8.69(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1Cl)/C=N\N2C(=NN=C2SCC3=CC=CC4=CC=CC=C43)C)OCC

DOS

IR

Vibrations