Geometry & MOs

Info

ID:	436778
PubChem CID:	135211393
Reduced:	NOC12H15 (2)
Stoich.:	ABC12D15 (2)
Weight, g/mol:	508.03829
ΔH_f, kcal/mol:	-45.47
Dipole, Da:	6.43
IP(EA), eV:	-7.92(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-iodo-6,6-dimethyl-8-[(2R)-2,3,4-trihydroxybutoxy]naphtho[3,2-b][1]benzofuran-11-one

Drug info:

PubChemData

Smile

CCNCCOC1=CC2=C(C=C1)C(=O)C3=C(C2(C)C)NC4=CC(CC=C43)(C)C

DOS

IR

Vibrations