Geometry & MOs

Info

ID:	57332
PubChem CID:	22395675
Reduced:	NPC8O9H16 (1)
Stoich.:	ABC8D9E16 (1)
Weight, g/mol:	423.99464
ΔH_f, kcal/mol:	-448.94
Dipole, Da:	2.6
IP(EA), eV:	-9.7(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(bromomethyl)-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one

Drug info:

PubChemData

Smile

CC(=O)C(=O)C(C(C(C(COP(=O)(O)O)O)O)O)N

DOS

IR

Vibrations