Geometry & MOs

Info

ID:	303636
PubChem CID:	124489984
Reduced:	N2O4H20C23 (1)
Stoich.:	A2B4C20D23 (1)
Weight, g/mol:	411.85751
ΔH_f, kcal/mol:	-4.31
Dipole, Da:	5.09
IP(EA), eV:	-9.8(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1[C@H]2[C@@H](O[C@@H](N2[C@@H](O1)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=C(C=C5)[N+](=O)[O-]

DOS

IR

Vibrations