Geometry & MOs

Info

ID:	181324
PubChem CID:	76730979
Reduced:	BNO6C27H34 (1)
Stoich.:	ABC6D27E34 (1)
Weight, g/mol:	457.225308
ΔH_f, kcal/mol:	-307.94
Dipole, Da:	10.54
IP(EA), eV:	-9.56(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[[4-(4-ethylphenyl)phenyl]methoxy]propanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)COC(C)C(=O)N3C(C(OC3=O)(C)C)C4=CC=CC=C4

DOS

IR

Vibrations