Geometry & MOs

Info

ID:	398092
PubChem CID:	135031737
Reduced:	NF3O7C19H20 (1)
Stoich.:	AB3C7D19E20 (1)
Weight, g/mol:	441.04231
ΔH_f, kcal/mol:	-388.67
Dipole, Da:	6.41
IP(EA), eV:	-10.07(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-O-tert-butyl 4-O,5-O-dimethyl 3-(4-bromophenyl)-3H-1,2-oxazole-2,4,5-tricarboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C(C(=C(O1)C(=O)OC)C(=O)OC)C2=CC=C(C=C2)C(F)(F)F

DOS

IR

Vibrations