Geometry & MOs

Info

ID:	15820
PubChem CID:	452238
Reduced:	O17H22C28 (1)
Stoich.:	A17B22C28 (1)
Weight, g/mol:	630.085699
ΔH_f, kcal/mol:	-623.61
Dipole, Da:	2.76
IP(EA), eV:	-9.25(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S,5R)-3,4,5-tris[(3,4,5-trihydroxybenzoyl)oxy]cyclohexene-1-carboxylic acid

Drug info:

PubChemData

Smile

C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)OC(=O)C2=CC(=C(C(=C2)O)O)O)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O

DOS

IR

Vibrations