Geometry & MOs

Info

ID:	301287
PubChem CID:	123071407
Reduced:	SF2O2N4H26C27 (1)
Stoich.:	AB2C2D4E26F27 (1)
Weight, g/mol:	504.199526
ΔH_f, kcal/mol:	-26.69
Dipole, Da:	8.08
IP(EA), eV:	-8.62(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NN=C(N1/N=C\C2=CC(=C(C=C2)OCC3=CC=CC=C3F)OCC)SCC4=CC=C(C=C4)F

DOS

IR

Vibrations