Geometry & MOs

Info

ID:	311380
PubChem CID:	126591266
Reduced:	NO5C9H19 (1)
Stoich.:	AB5C9D19 (1)
Weight, g/mol:	551.0441
ΔH_f, kcal/mol:	-239.76
Dipole, Da:	5.79
IP(EA), eV:	-9.89(1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[(6S,8R,8aS)-8-hydroxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]amino]-3-iodochromen-2-one

Drug info:

PubChemData

Smile

C(C[C@H]1C(C([C@@H](C(O1)CO)O)O)N)CO

DOS

IR

Vibrations