Geometry & MOs

Info

ID:	301648
PubChem CID:	123089990
Reduced:	OSCl3N4H19C20 (1)
Stoich.:	ABC3D4E19F20 (1)
Weight, g/mol:	503.992593
ΔH_f, kcal/mol:	53.49
Dipole, Da:	9.47
IP(EA), eV:	-8.92(-1.11)
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-(3,5-dichloro-4-propan-2-yloxyphenyl)methanimine

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)/C=N\N2C(=NN=C2SCC3=C(C=C(C=C3)Cl)Cl)C)Cl

DOS

IR

Vibrations