Geometry & MOs

Info

ID:	226287
PubChem CID:	87350373
Reduced:	SN2O5C15H20 (1)
Stoich.:	AB2C5D15E20 (1)
Weight, g/mol:	340.109293
ΔH_f, kcal/mol:	-190.8
Dipole, Da:	7.22
IP(EA), eV:	-8.75(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]ethanesulfonic acid

Drug info:

PubChemData

Smile

C[C@@H](C1CN(C(=O)O1)C2=CC3=C(CN(CC3)C)C=C2)S(=O)(=O)O

DOS

IR

Vibrations