Geometry & MOs

Info

ID:	36773
PubChem CID:	8012535
Reduced:	SO3N4H16C17 (1)
Stoich.:	AB3C4D16E17 (1)
Weight, g/mol:	375.114044
ΔH_f, kcal/mol:	22.97
Dipole, Da:	3.56
IP(EA), eV:	-8.84(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(4-methylphenyl)sulfonylpropanamide

Drug info:

PubChemData

Smile

COCCN1C2=CC=CC=C2N=C1SCC3=NN=C(O3)C4=CC=CO4

DOS

IR

Vibrations