Geometry & MOs

Info

ID:	297008
PubChem CID:	117605622
Reduced:	BrNO5C13H16 (1)
Stoich.:	ABC5D13E16 (1)
Weight, g/mol:	447.179421
ΔH_f, kcal/mol:	-195.99
Dipole, Da:	2.75
IP(EA), eV:	-9.75(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-benzyl-2-oxo-1,3-oxazolidin-3-yl)-3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC(=O)C1=C(C=C(N1C(=O)OC(C)(C)C)C(=O)OC)Br

DOS

IR

Vibrations