Geometry & MOs

Info

ID:	84151
PubChem CID:	49864602
Reduced:	SO2N3C20H27 (1)
Stoich.:	AB2C3D20E27 (1)
Weight, g/mol:	463.114832
ΔH_f, kcal/mol:	-37.24
Dipole, Da:	5.52
IP(EA), eV:	-8.23(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S,4R,5S,6R)-3,4,6-triacetyloxy-5-[(2-acetylsulfanylacetyl)amino]oxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC(C)N(C1=CC=CC(=C1)N2CCN(CC2)C)S(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations