Geometry & MOs

Info

ID:	303637
PubChem CID:	124489986
Reduced:	O3Cl6H8C12 (1)
Stoich.:	A3B6C8D12 (1)
Weight, g/mol:	411.85751
ΔH_f, kcal/mol:	-103.18
Dipole, Da:	3.98
IP(EA), eV:	-10.33(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-2,2,2-trichloro-1-[(2R,3R)-3-(trichloromethyl)oxiran-2-yl]ethyl] benzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)O[C@H]([C@@H]2[C@@H](O2)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl

DOS

IR

Vibrations