Geometry & MOs

Info

ID:	396431
PubChem CID:	135028409
Reduced:	MnPO5H23C24 (1)
Stoich.:	ABC5D23E24 (1)
Weight, g/mol:	196.040545
ΔH_f, kcal/mol:	62.17
Dipole, Da:	6.09
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 4.085781
Charge, e:	0

Chem-info

IUPAC name:

(2S,5S)-5-[(1S)-1-hydroxy-2-sulfanylethyl]oxolane-2,3,4-triol

Drug info:

PubChemData

Smile

C[C-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.[Mn]

DOS

IR

Vibrations