Geometry & MOs

Info

ID:	301299
PubChem CID:	123071419
Reduced:	ClFOSN4H22C25 (1)
Stoich.:	ABCDE4F22G25 (1)
Weight, g/mol:	460.173311
ΔH_f, kcal/mol:	54.22
Dipole, Da:	5.66
IP(EA), eV:	-8.87(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NN=C(N1/N=C\C2=CC(=CC=C2)OCC3=CC=C(C=C3)Cl)SCC4=CC=C(C=C4)F

DOS

IR

Vibrations