Geometry & MOs

Info

ID:	230398
PubChem CID:	87570793
Reduced:	FN2Cl3O4C14H14 (1)
Stoich.:	AB2C3D4E14F14 (1)
Weight, g/mol:	398.000318
ΔH_f, kcal/mol:	-162.98
Dipole, Da:	4.23
IP(EA), eV:	-9.35(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (4Z)-3,3-dichloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-4-hydroxyiminopiperidine-2-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1F)C2C/C(=N\O)/C(C(N2)C(=O)OC)(Cl)Cl)Cl

DOS

IR

Vibrations