Geometry & MOs

Info

ID:	301502
PubChem CID:	123083191
Reduced:	BrSCl2N4H19C24 (1)
Stoich.:	ABC2D4E19F24 (1)
Weight, g/mol:	520.050308
ΔH_f, kcal/mol:	139.99
Dipole, Da:	6.7
IP(EA), eV:	-9.03(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-[3-benzyl-5-[(2,6-dichlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-1-[3-(trifluoromethyl)phenyl]methanimine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCC2=NN=C(N2/N=C\C3=CC(=CC=C3)Br)SCC4=C(C=CC=C4Cl)Cl

DOS

IR

Vibrations