Geometry & MOs

Info

ID:	399243
PubChem CID:	135039081
Reduced:	O5C14H23 (1)
Stoich.:	A5B14C23 (1)
Weight, g/mol:	266.079038
ΔH_f, kcal/mol:	-145.3
Dipole, Da:	4.6
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.790385
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-4-phenylmethoxy-2H-furan-5-one

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@@H](C1(C)C)[C@H](C)C(C(=O)C(=O)OC)O[O-]

DOS

IR

Vibrations