Geometry & MOs

Info

ID:	399144
PubChem CID:	135038191
Reduced:	OC13H16 (1)
Stoich.:	AB13C16 (1)
Weight, g/mol:	324.105647
ΔH_f, kcal/mol:	-14.47
Dipole, Da:	3.39
IP(EA), eV:	-9.07(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,3R,5R,8R,12R,13R)-3-(hydroxymethyl)-4,6,9,14-tetraoxadispiro[4.2.58.25]pentadecane-1,2,11,12,13-pentol

Drug info:

PubChemData

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C[C@@]12[C@@H]3[C@]1(C=CC=C3)C(CC2=O)(C)C

DOS

IR

Vibrations