Geometry & MOs

Info

ID:	301286
PubChem CID:	123071406
Reduced:	FSO2N4C21H23 (1)
Stoich.:	ABC2D4E21F23 (1)
Weight, g/mol:	508.174454
ΔH_f, kcal/mol:	-0.68
Dipole, Da:	8.61
IP(EA), eV:	-8.88(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-1-[3-ethoxy-4-[(2-fluorophenyl)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)OC)OCC)SCC3=CC=C(C=C3)F

DOS

IR

Vibrations