Geometry & MOs

Info

ID:	301467
PubChem CID:	123080885
Reduced:	BrClSN4H20C24 (1)
Stoich.:	ABCD4E20F24 (1)
Weight, g/mol:	462.12811
ΔH_f, kcal/mol:	143.18
Dipole, Da:	4.3
IP(EA), eV:	-8.98(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-[3-benzyl-5-[(3-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-1-(4-ethoxyphenyl)methanimine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCC2=NN=C(N2/N=C\C3=CC(=CC=C3)Br)SCC4=CC(=CC=C4)Cl

DOS

IR

Vibrations