Geometry & MOs

Info

ID:	301595
PubChem CID:	123087479
Reduced:	BrSO2N4H19C24 (1)
Stoich.:	ABC2D4E19F24 (1)
Weight, g/mol:	446.177647
ΔH_f, kcal/mol:	81.87
Dipole, Da:	4.65
IP(EA), eV:	-8.98(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC2=NN=C(N2/N=C\C3=CC=C(C=C3)C(=O)O)SCC4=CC=C(C=C4)Br

DOS

IR

Vibrations