Geometry & MOs

Info

ID:	309440
PubChem CID:	126546271
Reduced:	SO2N4C12H20 (1)
Stoich.:	AB2C4D12E20 (1)
Weight, g/mol:	327.077658
ΔH_f, kcal/mol:	-52.93
Dipole, Da:	6.53
IP(EA), eV:	-9.37(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-2-methylsulfonyl-3-[3-(4-oxocyclohexa-2,5-dien-1-ylidene)-1,2-oxazolidin-5-yl]propanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=NC=N1)NC2CN(C2)S(=O)(=O)C

DOS

IR

Vibrations