Geometry & MOs

Info

ID:

300648

PubChem CID:

123050617

Reduced:

NO5H27C29 (1)

Stoich.:

AB5C27D29 (1)

Weight, g/mol:

485.147452

ΔHf, kcal/mol:

-131.67

Dipole, Da:

6.24

IP(EA), eV:

 -8.47(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[(3E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[hydroxy-(4-methylphenyl)methylidene]-4,5-dioxopyrrolidin-2-yl]phenyl] acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)C3=CC=C(C=C3)C(C)C)C4=CC=C(C=C4)OC(=O)C)/O

DOS

IR

Vibrations