Geometry & MOs

Info

ID:	26049
PubChem CID:	637009
Reduced:	O11C37H54 (1)
Stoich.:	A11B37C54 (1)
Weight, g/mol:	284.068473
ΔH_f, kcal/mol:	-484.98
Dipole, Da:	3.28
IP(EA), eV:	-10.14(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-methoxy-9-oxoxanthene-2-carboxylate

Drug info:

Smile

C[C@@H]1C[C@@]2([C@H]3[C@](O3)(C(=O)O2)C)O[C@@H]4[C@H]1[C@]5([C@@H](C[C@@]67C[C@@]68CC[C@@H](C([C@@H]8CC[C@H]7[C@@]5(C4)C)(C)C)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O)O)OC(=O)C)C

DOS

IR

Vibrations