Geometry & MOs

Info

ID:

179000

PubChem CID:

76417196

Reduced:

N2O29C37H62 (1)

Stoich.:

A2B29C37D62 (1)

Weight, g/mol:

220.109944

ΔHf, kcal/mol:

-1317.48

Dipole, Da:

11.02

IP(EA), eV:

 -10.23(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-hydroxy-6a-methylspiro[3,3a,4,6-tetrahydro-2H-cyclopenta[b]furan-5,4'-cyclohexa-2,5-diene]-1'-one

Drug info:

PubChemData

Smile

CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)OC2C(C(C(OC2OC3C(OC(C(C3O)O)O)CO)CO)O)O)OC4C(C(C(C(O4)CO)O)OC5C(C(C(C(O5)CO)O)O)O)NC(=O)C

DOS

IR

Vibrations