Geometry & MOs

Info

ID:	301310
PubChem CID:	123071430
Reduced:	FOSN4C21H23 (1)
Stoich.:	ABCD4E21F23 (1)
Weight, g/mol:	398.157661
ΔH_f, kcal/mol:	20.7
Dipole, Da:	7.89
IP(EA), eV:	-8.84(-0.91)
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-propoxyphenyl)methanimine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations