Geometry & MOs

Info

ID:

300826

PubChem CID:

123055131

Reduced:

BrNF2O4H20C26 (1)

Stoich.:

ABC2D4E20F26 (1)

Weight, g/mol:

514.210387

ΔHf, kcal/mol:

-160.42

Dipole, Da:

7.92

IP(EA), eV:

 -9.4(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[(3E)-1-[4-(dimethylamino)phenyl]-3-[hydroxy-(4-propan-2-yloxyphenyl)methylidene]-4,5-dioxopyrrolidin-2-yl]phenyl] acetate

Drug info:

PubChemData

Smile

CC(C)OC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)C3=C(C=C(C=C3)F)F)C4=CC=C(C=C4)Br)/O

DOS

IR

Vibrations