Geometry & MOs

Info

ID:	301498
PubChem CID:	123083185
Reduced:	OSCl2N4H24C26 (1)
Stoich.:	ABC2D4E24F26 (1)
Weight, g/mol:	500.039601
ΔH_f, kcal/mol:	91.97
Dipole, Da:	7.53
IP(EA), eV:	-8.62(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1/C=N\N2C(=NN=C2SCC3=C(C=CC=C3Cl)Cl)CCC4=CC=CC=C4

DOS

IR

Vibrations