Geometry & MOs

Info

ID:	35524
PubChem CID:	7979986
Reduced:	SN3O4C17H21 (1)
Stoich.:	AB3C4D17E21 (1)
Weight, g/mol:	284.104859
ΔH_f, kcal/mol:	-94.14
Dipole, Da:	8.08
IP(EA), eV:	-9.53(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-1-phenylethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate

Drug info:

PubChemData

Smile

C/C=C/C=C/C(=O)NNC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC2

DOS

IR

Vibrations