Geometry & MOs

Info

ID:	20340
PubChem CID:	583218
Reduced:	ClNO6F7H9C17 (1)
Stoich.:	ABC6D7E9F17 (1)
Weight, g/mol:	491.000662
ΔH_f, kcal/mol:	-471.46
Dipole, Da:	6.32
IP(EA), eV:	-10.33(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[2-chloro-5-(trifluoromethyl)phenoxy]-2-nitrophenyl] 2,3,3,3-tetrafluoro-2-methoxypropanoate

Drug info:

PubChemData

Smile

COC(C(=O)OC1=C(C=CC(=C1)OC2=C(C=CC(=C2)C(F)(F)F)Cl)[N+](=O)[O-])(C(F)(F)F)F

DOS

IR

Vibrations