Geometry & MOs

Info

ID:	226544
PubChem CID:	87464910
Reduced:	SN3F4O4H17C21 (1)
Stoich.:	AB3C4D4E17F21 (1)
Weight, g/mol:	647.998755
ΔH_f, kcal/mol:	-295.22
Dipole, Da:	1.74
IP(EA), eV:	-8.82(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis(3,4,6-trichloro-2-hexoxyphenyl) oxalate

Drug info:

PubChemData

Smile

CC1=CN(/C(=N/C(=O)N[C@@H](CO)C2=CC=CC=C2)/S1)C3=CC4=C(C=C3)OC(C(O4)(F)F)(F)F

DOS

IR

Vibrations