Geometry & MOs

Info

ID:

300610

PubChem CID:

123045213

Reduced:

FNO6H28C30 (1)

Stoich.:

ABC6D28E30 (1)

Weight, g/mol:

531.205716

ΔHf, kcal/mol:

-217.2

Dipole, Da:

8.74

IP(EA), eV:

 -8.93(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

butan-2-yl 3-[(3E)-2-(2-fluorophenyl)-3-[hydroxy-(3-propan-2-yloxyphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC(C)OC1=CC=CC(=C1)/C(=C\2/C(N(C(=O)C2=O)C3=CC=CC(=C3)C(=O)OC(C)C)C4=CC=CC=C4F)/O

DOS

IR

Vibrations