Geometry & MOs

Info

ID:	64571
PubChem CID:	29202978
Reduced:	SN2O7C19H20 (1)
Stoich.:	AB2C7D19E20 (1)
Weight, g/mol:	420.099122
ΔH_f, kcal/mol:	-232.84
Dipole, Da:	8.4
IP(EA), eV:	-8.0(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl] 2-(benzenesulfonamido)acetate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC2=C(C=C1)OCCO2)OC(=O)CNS(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations