Geometry & MOs

Info

ID:	47972
PubChem CID:	10536087
Reduced:	ClN3O3H4C6 (1)
Stoich.:	AB3C3D4E6 (1)
Weight, g/mol:	202.058971
ΔH_f, kcal/mol:	-11.08
Dipole, Da:	5.57
IP(EA), eV:	-10.92(-2.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R,7R,8S)-8-hydroxy-7-(hydroxymethyl)-6-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione

Drug info:

PubChemData

Smile

C1=CC(=NC(=C1[N+](=O)[O-])C(=O)N)Cl

DOS

IR

Vibrations