Geometry & MOs

Info

ID:	226286
PubChem CID:	87350372
Reduced:	NO3C10H15 (1)
Stoich.:	AB3C10D15 (1)
Weight, g/mol:	340.109293
ΔH_f, kcal/mol:	-91.56
Dipole, Da:	0.78
IP(EA), eV:	-9.67(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=C)C(=O)C(CN)(C(=O)C(=C)C)O

DOS

IR

Vibrations