Geometry & MOs

Info

ID:

219175

PubChem CID:

85091243

Reduced:

N2Cl3O7H23C33 (1)

Stoich.:

A2B3C7D23E33 (1)

Weight, g/mol:

666.252371

ΔHf, kcal/mol:

-167.7

Dipole, Da:

1.19

IP(EA), eV:

 -8.87(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[4-[3-(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2-methoxyphenoxy]oxane-3,4,5-triol

Drug info:

PubChemData

Smile

C1=CC2=CN(N=C2C=C1)C3C(C(C(O3)COC(=O)C4=CC=C(C=C4)Cl)OC(=O)C5=CC=C(C=C5)Cl)OC(=O)C6=CC=C(C=C6)Cl

DOS

IR

Vibrations