Geometry & MOs

Info

ID:	44205
PubChem CID:	10502017
Reduced:	O10C19H28 (1)
Stoich.:	A10B19C28 (1)
Weight, g/mol:	416.147118
ΔH_f, kcal/mol:	-458.18
Dipole, Da:	2.97
IP(EA), eV:	-10.24(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-hydroxy-8-[(2R,4S,5R)-5-hydroxy-4-(hydroxymethyl)-1,3-dioxan-2-yl]-3-methyl-1-propyl-1H-benzo[g]isochromene-6,9-dione

Drug info:

PubChemData

Smile

CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC(C)(C)C=C)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations