Geometry & MOs

Info

ID:	301298
PubChem CID:	123071418
Reduced:	FSO2N4C27H27 (1)
Stoich.:	ABC2D4E27F27 (1)
Weight, g/mol:	480.118688
ΔH_f, kcal/mol:	18.37
Dipole, Da:	7.21
IP(EA), eV:	-8.59(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-1-[3-[(4-chlorophenyl)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)OCC3=CC=C(C=C3)C)SCC4=CC=C(C=C4)F

DOS

IR

Vibrations