Geometry & MOs

Info

ID:	300052
PubChem CID:	118051009
Reduced:	NSO6C18H21 (1)
Stoich.:	ABC6D18E21 (1)
Weight, g/mol:	433.01947
ΔH_f, kcal/mol:	-214.88
Dipole, Da:	3.46
IP(EA), eV:	-8.85(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[3-(4-bromophenyl)-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonylpropanoate

Drug info:

PubChemData

Smile

CC#CC1=C(C=C(C=C1)N2C[C@@H](OC2=O)CC(C)(C(=O)O)S(=O)(=O)C)C

DOS

IR

Vibrations