Geometry & MOs

Info

ID:	380894
PubChem CID:	134971487
Reduced:	N2O5C14H14 (1)
Stoich.:	A2B5C14D14 (1)
Weight, g/mol:	293.07555
ΔH_f, kcal/mol:	-99.09
Dipole, Da:	7.2
IP(EA), eV:	-9.75(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S,3R,4R,5R)-2-(1,3-dithian-2-yl)-3,4,5-trihydroxypiperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCC(=O)OCC1=C(N=C2C=CC(=CC2=C1)[N+](=O)[O-])OC

DOS

IR

Vibrations