Geometry & MOs

Info

ID:

170265

PubChem CID:

75214582

Reduced:

SO4N5C37H51 (1)

Stoich.:

AB4C5D37E51 (1)

Weight, g/mol:

738.143214

ΔHf, kcal/mol:

-106.19

Dipole, Da:

7.02

IP(EA), eV:

 -8.46(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-[3,5-dihydroxy-4-(3-phenylpropanoyl)phenoxy]-1,11,12,18,19,23,23-heptahydroxy-6,9,14,24-tetraoxapentacyclo[18.3.1.04,22.08,13.016,21]tetracosa-3,16,18,20-tetraene-2,5,15-trione

Drug info:

PubChemData

Smile

CN1CCCC2CN3C4=C(C=CC(=C4)C(=O)NS(=O)(=O)N(CC1)C)C(=C3C5=CC=CC(=C5OC2)CN6CCCCC6)C7CCCCC7

DOS

IR

Vibrations