Geometry & MOs

Info

ID:	301494
PubChem CID:	123082253
Reduced:	SO2Cl3N4H17C19 (1)
Stoich.:	AB2C3D4E17F19 (1)
Weight, g/mol:	527.97892
ΔH_f, kcal/mol:	32.99
Dipole, Da:	6.74
IP(EA), eV:	-8.8(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-1-(3-bromo-4,5-diethoxyphenyl)-N-[3-[(2,6-dichlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]methanimine

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)/C=N\N2C=NN=C2SCC3=C(C=CC=C3Cl)Cl)Cl)OC

DOS

IR

Vibrations