Geometry & MOs

Info

ID:

233538

PubChem CID:

91145363

Reduced:

BrN2O3C25H25 (1)

Stoich.:

AB2C3D25E25 (1)

Weight, g/mol:

672.151277

ΔHf, kcal/mol:

-83.9

Dipole, Da:

5.65

IP(EA), eV:

 -8.74(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[(7,8-dihydroxy-2-thiophen-2-yl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl)oxy]-5-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-5a,8,8a,9-tetrahydro-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1=C(C=C(C=C1)C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)CBr

DOS

IR

Vibrations