Geometry & MOs

Info

ID:	301271
PubChem CID:	123071391
Reduced:	FSO2N4C19H19 (1)
Stoich.:	ABC2D4E19F19 (1)
Weight, g/mol:	408.10318
ΔH_f, kcal/mol:	-2.25
Dipole, Da:	8.09
IP(EA), eV:	-8.8(-1.13)
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-(trifluoromethyl)phenyl]methanimine

Drug info:

PubChemData

Smile

CCC1=NN=C(N1/N=C\C2=CC(=C(C=C2)OC)O)SCC3=CC=C(C=C3)F

DOS

IR

Vibrations