Geometry & MOs

Info

ID:	301526
PubChem CID:	123084480
Reduced:	BrClFSO2N4H19C20 (1)
Stoich.:	ABCDE2F4G19H20 (1)
Weight, g/mol:	468.058981
ΔH_f, kcal/mol:	-1.51
Dipole, Da:	9.38
IP(EA), eV:	-8.57(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-1-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-[3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-yl]methanimine

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)/C=N\N2C(=NN=C2SCC3=C(C=CC=C3Cl)F)C)Br)OC

DOS

IR

Vibrations