Geometry & MOs

Info

ID:	391591
PubChem CID:	135006758
Reduced:	NOF2H9C13 (1)
Stoich.:	ABC2D9E13 (1)
Weight, g/mol:	328.998841
ΔH_f, kcal/mol:	-79.11
Dipole, Da:	4.32
IP(EA), eV:	-8.64(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,2-trichloroethyl (4S)-2-tert-butyl-4-methyl-5-oxo-1,3-oxazole-4-carboxylate

Drug info:

PubChemData

Smile

C1=C/C(=C/C(=O)C2=C(C=C(C=C2)F)F)/NC=C1

DOS

IR

Vibrations