Geometry & MOs

Info

ID:	301668
PubChem CID:	123090703
Reduced:	OSCl2N4H22C25 (1)
Stoich.:	ABC2D4E22F25 (1)
Weight, g/mol:	360.061173
ΔH_f, kcal/mol:	92.96
Dipole, Da:	4.94
IP(EA), eV:	-8.93(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1)/C=N\N2C(=NN=C2SCC3=C(C=C(C=C3)Cl)Cl)CC4=CC=CC=C4

DOS

IR

Vibrations