Geometry & MOs

Info

ID:	47861
PubChem CID:	10535668
Reduced:	O3H10C11 (1)
Stoich.:	A3B10C11 (1)
Weight, g/mol:	190.120509
ΔH_f, kcal/mol:	-21.42
Dipole, Da:	2.8
IP(EA), eV:	-10.07(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[(1S,2R,3S)-2,3-bis(hydroxymethyl)cyclopentyl]ethane-1,2-diol

Drug info:

PubChemData

Smile

C1[C@@H](O1)[C@@H]2[C@H](O2)C(=O)C3=CC=CC=C3

DOS

IR

Vibrations