Geometry & MOs

Info

ID:	301233
PubChem CID:	123071352
Reduced:	FSCl2N4H13C17 (1)
Stoich.:	ABC2D4E13F17 (1)
Weight, g/mol:	476.168225
ΔH_f, kcal/mol:	68.54
Dipole, Da:	5.52
IP(EA), eV:	-8.87(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-[3-[(4-fluorophenyl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-yl]-1-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methanimine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations