Geometry & MOs

Info

ID:	137545
PubChem CID:	52224247
Reduced:	N2O3C12H22 (1)
Stoich.:	A2B3C12D22 (1)
Weight, g/mol:	342.088557
ΔH_f, kcal/mol:	-138.87
Dipole, Da:	2.78
IP(EA), eV:	-9.32(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl-propylamino]acetate

Drug info:

PubChemData

Smile

C[C@@H]1CN([C@@H](CO1)C)CC(=O)N2CCOCC2

DOS

IR

Vibrations