Geometry & MOs

Info

ID:	300051
PubChem CID:	118050992
Reduced:	ClON2S3H19C21 (1)
Stoich.:	ABC2D3E19F21 (1)
Weight, g/mol:	379.108959
ΔH_f, kcal/mol:	72.23
Dipole, Da:	7.22
IP(EA), eV:	-8.68(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-3-[(5S)-3-(3-methyl-4-prop-1-ynylphenyl)-2-oxo-1,3-oxazolidin-5-yl]-2-methylsulfonylpropanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCS(=O)CCCCCl)C3=CC=CS3

DOS

IR

Vibrations