Geometry & MOs

Info

ID:	47127
PubChem CID:	10529778
Reduced:	N3P3Cl4O6C10H20 (1)
Stoich.:	A3B3C4D6E10F20 (1)
Weight, g/mol:	512.064088
ΔH_f, kcal/mol:	-391.92
Dipole, Da:	6.14
IP(EA), eV:	-8.73(-2.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-benzofuran-5-yl)-1-[3,5-dichloro-2-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propan-1-one

Drug info:

PubChemData

Smile

C1COCCOCCOP2(=NP(=NP(=N2)(Cl)Cl)(Cl)Cl)OCCOCCO1

DOS

IR

Vibrations