Geometry & MOs

Info

ID:	301413
PubChem CID:	123080715
Reduced:	BrClSO2N4C22H24 (1)
Stoich.:	ABCD2E4F22G24 (1)
Weight, g/mol:	478.099703
ΔH_f, kcal/mol:	35.38
Dipole, Da:	6.01
IP(EA), eV:	-8.72(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-[3-butyl-5-[(3-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-1-(2-chloro-3,4-dimethoxyphenyl)methanimine

Drug info:

PubChemData

Smile

CCCCC1=NN=C(N1/N=C\C2=C(C(=C(C=C2)OC)OC)Br)SCC3=CC(=CC=C3)Cl

DOS

IR

Vibrations