Geometry & MOs

Info

ID:

334406

PubChem CID:

127252958

Reduced:

N2O7H24C26 (1)

Stoich.:

A2B7C24D26 (1)

Weight, g/mol:

568.151552

ΔHf, kcal/mol:

-239.4

Dipole, Da:

12.61

IP(EA), eV:

 -9.16(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2E,9bR)-6-acetyl-2-[1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methoxyanilino]ethylidene]-7,9-dihydroxy-8,9b-dimethyldibenzofuran-1,3-dione

Drug info:

PubChemData

Smile

CC1=C(C(=C2C(=C1O)[C@@]3(C(=CC(=O)/C(=C(/C)\NC4=CC=C(C=C4)NC(=O)C)/C3=O)O2)C)C(=O)C)O

DOS

IR

Vibrations