Geometry & MOs

Info

ID:	303737
PubChem CID:	124490115
Reduced:	N2O6C11H12 (1)
Stoich.:	A2B6C11D12 (1)
Weight, g/mol:	268.069536
ΔH_f, kcal/mol:	-172.61
Dipole, Da:	9.39
IP(EA), eV:	-10.08(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,4S,5R,6R)-5-hydroxy-10-oxo-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-4-yl]methyl acetate

Drug info:

PubChemData

Smile

CC(=O)OC[C@H]1[C@@H]([C@@H]2[C@@H](O1)N3C=CC(=O)N=C3O2)O

DOS

IR

Vibrations