Geometry & MOs

Info

ID:	398093
PubChem CID:	135031738
Reduced:	BrNO7C18H20 (1)
Stoich.:	ABC7D18E20 (1)
Weight, g/mol:	393.142367
ΔH_f, kcal/mol:	-219.06
Dipole, Da:	4.05
IP(EA), eV:	-9.63(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-O-tert-butyl 4-O,5-O-dimethyl 3-(2-methoxyphenyl)-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)Br

DOS

IR

Vibrations