Geometry & MOs

Info

ID:	407707
PubChem CID:	135080462
Reduced:	NSO3H9C11 (1)
Stoich.:	ABC3D9E11 (1)
Weight, g/mol:	226.156895
ΔH_f, kcal/mol:	1.75
Dipole, Da:	6.73
IP(EA), eV:	-9.59(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3R,3aS,7aR)-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran-3-yl]hexan-2-one

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)[N+](=O)[O-])C(C2=CC=CS2)O

DOS

IR

Vibrations