Geometry & MOs

Info

ID:	181320
PubChem CID:	76730975
Reduced:	O5C22H28 (1)
Stoich.:	A5B22C28 (1)
Weight, g/mol:	540.23727
ΔH_f, kcal/mol:	-178.86
Dipole, Da:	3.87
IP(EA), eV:	-9.27(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-hydroxy-2-methyl-3-(3-methyltriazol-4-yl)-2-[(4-phenylphenyl)methoxy]propanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one

Drug info:

PubChemData

Smile

CCOCCC(C(C)(C(=O)CO)OCC1=CC=C(C=C1)C2=CC=CC=C2)O

DOS

IR

Vibrations