Geometry & MOs

Info

ID:	301540
PubChem CID:	123084850
Reduced:	ClFSO4N5C22H23 (1)
Stoich.:	ABCD4E5F22G23 (1)
Weight, g/mol:	540.03977
ΔH_f, kcal/mol:	-19.84
Dipole, Da:	3.5
IP(EA), eV:	-9.0(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-1-(3-bromo-5-ethoxy-4-methoxyphenyl)-N-[3-[(2-chloro-6-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)OCC)OC)[N+](=O)[O-])SCC3=C(C=CC=C3Cl)F

DOS

IR

Vibrations