Geometry & MOs

Info

ID:	301309
PubChem CID:	123071429
Reduced:	FSO2N4C21H23 (1)
Stoich.:	ABC2D4E21F23 (1)
Weight, g/mol:	398.157661
ΔH_f, kcal/mol:	-5.1
Dipole, Da:	5.14
IP(EA), eV:	-8.88(-1.04)
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-(4-propan-2-yloxyphenyl)methanimine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations