Geometry & MOs

Info

ID:	301674
PubChem CID:	123091380
Reduced:	ClFSO2N4C24H28 (1)
Stoich.:	ABCD2E4F24G28 (1)
Weight, g/mol:	492.06309
ΔH_f, kcal/mol:	-30.78
Dipole, Da:	3.51
IP(EA), eV:	-8.68(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-1-(3-bromo-4,5-dimethoxyphenyl)-N-[3-[(3-fluorophenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-yl]methanimine

Drug info:

PubChemData

Smile

CCCC1=NN=C(N1/N=C\C2=CC(=C(C(=C2)Cl)OCCC)OCC)SCC3=CC(=CC=C3)F

DOS

IR

Vibrations