Geometry & MOs

Info

ID:	402387
PubChem CID:	135055791
Reduced:	NO2C8H12 (2)
Stoich.:	AB2C8D12 (2)
Weight, g/mol:	460.091592
ΔH_f, kcal/mol:	-124.13
Dipole, Da:	2.98
IP(EA), eV:	-9.56(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (4R,5S)-4-(4,4-dimethyl-2-oxo-1,3-oxazolidine-3-carbonyl)-2-sulfanylidene-5-[4-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxylate

Drug info:

PubChemData

Smile

CCC(C(C1=CC=C(C=C1)C)NC(=O)OC(C)(C)C)[N+](=O)[O-]

DOS

IR

Vibrations