Geometry & MOs

Info

ID:

301083

PubChem CID:

123059778

Reduced:

NO7C32H35 (1)

Stoich.:

AB7C32D35 (1)

Weight, g/mol:

547.237016

ΔHf, kcal/mol:

-204.95

Dipole, Da:

7.03

IP(EA), eV:

 -8.59(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4Z)-5-(4-butoxy-3-ethoxyphenyl)-1-(3-fluorophenyl)-4-[hydroxy-(3-propan-2-yloxyphenyl)methylidene]pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)C2/C(=C(\C3=CC(=CC=C3)OC(C)C)/O)/C(=O)C(=O)N2C4=CC=CC=C4OC)OCC

DOS

IR

Vibrations