Geometry & MOs

Info

ID:	301689
PubChem CID:	123091764
Reduced:	FSO2N4H21C24 (1)
Stoich.:	ABC2D4E21F24 (1)
Weight, g/mol:	474.188961
ΔH_f, kcal/mol:	28.01
Dipole, Da:	6.06
IP(EA), eV:	-8.88(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-[3-benzyl-5-[(3-fluorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-1-(3-butoxyphenyl)methanimine

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C=N\N2C(=NN=C2SCC3=CC(=CC=C3)F)CC4=CC=CC=C4)O

DOS

IR

Vibrations