Geometry & MOs

Info

ID:

301108

PubChem CID:

123059899

Reduced:

ClN2O6H25C28 (1)

Stoich.:

AB2C6D25E28 (1)

Weight, g/mol:

513.134301

ΔHf, kcal/mol:

-172.93

Dipole, Da:

14.01

IP(EA), eV:

 -8.28(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4E)-5-(3-chloro-4-hydroxyphenyl)-4-[hydroxy-(3-propan-2-yloxyphenyl)methylidene]-1-naphthalen-1-ylpyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CC(C)OC1=CC=CC(=C1)/C(=C/2\C(N(C(=O)C2=O)C3=CC=C(C=C3)NC(=O)C)C4=CC(=C(C=C4)O)Cl)/O

DOS

IR

Vibrations