Geometry & MOs

Info

ID:	411763
PubChem CID:	135084597
Reduced:	PC27H27 (1)
Stoich.:	AB27C27 (1)
Weight, g/mol:	176.032088
ΔH_f, kcal/mol:	82.62
Dipole, Da:	1.52
IP(EA), eV:	-8.61(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)oxane-2,3-dione

Drug info:

PubChemData

Smile

C=C[C@H]1C[C@H]([C@@H](C1)C2=CC=C(C=C2)P(C3=CC=CC=C3)C4=CC=CC=C4)C=C

DOS

IR

Vibrations