Geometry & MOs

Info

ID:	301534
PubChem CID:	123084620
Reduced:	BrClFSO2N4H17C19 (1)
Stoich.:	ABCDE2F4G17H19 (1)
Weight, g/mol:	480.118688
ΔH_f, kcal/mol:	-5.44
Dipole, Da:	6.13
IP(EA), eV:	-8.63(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NN=C(N1/N=C\C2=C(C(=C(C=C2)OC)O)Br)SCC3=C(C=CC=C3Cl)F

DOS

IR

Vibrations