Geometry & MOs

Info

ID:	301329
PubChem CID:	123080303
Reduced:	ClOSN4C22H25 (1)
Stoich.:	ABCD4E22F25 (1)
Weight, g/mol:	374.076824
ΔH_f, kcal/mol:	57.83
Dipole, Da:	8.54
IP(EA), eV:	-8.57(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-[3-[(3-chlorophenyl)methylsulfanyl]-5-ethyl-1,2,4-triazol-4-yl]-1-(3-fluorophenyl)methanimine

Drug info:

PubChemData

Smile

CCC1=NN=C(N1/N=C\C2=CC=CC=C2OCC(C)C)SCC3=CC(=CC=C3)Cl

DOS

IR

Vibrations