Geometry & MOs

Info

ID:	402588
PubChem CID:	135056485
Reduced:	PC6O9H11 (1)
Stoich.:	AB6C9D11 (1)
Weight, g/mol:	230.094294
ΔH_f, kcal/mol:	-333.37
Dipole, Da:	3.73
IP(EA), eV:	-10.55(-2.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-[(1S)-2-oxocyclopentyl]-2,3-dihydrochromen-4-one

Drug info:

PubChemData

Smile

C([C@@H]([C@@H]([C@H](C(=O)COP(=O)([O-])[O-])O)O)O)O

DOS

IR

Vibrations