Geometry & MOs

Info

ID:	404425
PubChem CID:	135066280
Reduced:	NO2C7H9 (2)
Stoich.:	AB2C7D9 (2)
Weight, g/mol:	459.092263
ΔH_f, kcal/mol:	-135.86
Dipole, Da:	4.48
IP(EA), eV:	-9.53(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4R,5S)-1-(benzenesulfonyl)-5-(2-phenylethyl)-2-sulfanylideneimidazolidine-4-carbonyl]-1,3-oxazolidin-2-one

Drug info:

PubChemData

Smile

CCOC(=O)C(CC(=O)C)NNC(=O)C1=CC=CC=C1

DOS

IR

Vibrations