Geometry & MOs

Info

ID:	301235
PubChem CID:	123071355
Reduced:	FOSN4C19H19 (1)
Stoich.:	ABCD4E19F19 (1)
Weight, g/mol:	405.046252
ΔH_f, kcal/mol:	35.79
Dipole, Da:	8.88
IP(EA), eV:	-8.9(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1)/C=N\N2C(=NN=C2SCC3=CC=C(C=C3)F)C

DOS

IR

Vibrations