Geometry & MOs

Info

ID:	301341
PubChem CID:	123080438
Reduced:	ClSF3N4H18C20 (1)
Stoich.:	ABC3D4E18F20 (1)
Weight, g/mol:	488.16489
ΔH_f, kcal/mol:	-44.68
Dipole, Da:	6.75
IP(EA), eV:	-8.95(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-[3-[(3-chlorophenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-yl]-1-(3,5-dimethoxy-4-propoxyphenyl)methanimine

Drug info:

PubChemData

Smile

CCCC1=NN=C(N1/N=C\C2=CC=CC=C2C(F)(F)F)SCC3=CC(=CC=C3)Cl

DOS

IR

Vibrations