Geometry & MOs

Info

ID:	301317
PubChem CID:	123071437
Reduced:	FOSN4H23C25 (1)
Stoich.:	ABCD4E23F25 (1)
Weight, g/mol:	428.168225
ΔH_f, kcal/mol:	65.34
Dipole, Da:	9.21
IP(EA), eV:	-8.85(-0.96)
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-(3-methoxy-4-propoxyphenyl)methanimine

Drug info:

PubChemData

Smile

CCC1=NN=C(N1/N=C\C2=CC=CC=C2COC3=CC=CC=C3)SCC4=CC=C(C=C4)F

DOS

IR

Vibrations