Geometry & MOs

Info

ID:	301649
PubChem CID:	123089994
Reduced:	OSCl4N4H18C20 (1)
Stoich.:	ABC4D4E18F20 (1)
Weight, g/mol:	448.089138
ΔH_f, kcal/mol:	44.41
Dipole, Da:	4.76
IP(EA), eV:	-8.84(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-[3-[(2,4-dichlorophenyl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-yl]-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanimine

Drug info:

PubChemData

Smile

CC1=NN=C(N1/N=C\C2=CC(=C(C(=C2)Cl)OC(C)C)Cl)SCC3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations