Geometry & MOs

Info

ID:

186291

PubChem CID:

77414353

Reduced:

SN2Cl3O5H17C19 (1)

Stoich.:

AB2C3D5E17F19 (1)

Weight, g/mol:

572.17412

ΔHf, kcal/mol:

-146.23

Dipole, Da:

5.64

IP(EA), eV:

 -9.36(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-(3-hydroxy-4,5-dimethoxyphenyl)-6-methoxy-4-oxo-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7,8,8a-hexahydrochromen-5-yl] hydrogen carbonate

Drug info:

PubChemData

Smile

CC1=C(N2C(C(C2=O)NC(=O)COC3=CC=CC=C3)SC1=C)C(=O)OC(CCl)(Cl)Cl

DOS

IR

Vibrations