Geometry & MOs

Info

ID:

300871

PubChem CID:

123055285

Reduced:

BrNO6H24C27 (1)

Stoich.:

ABC6D24E27 (1)

Weight, g/mol:

516.189651

ΔHf, kcal/mol:

-149.56

Dipole, Da:

10.07

IP(EA), eV:

 -8.58(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(3E)-2-(3-hydroxy-4-methoxyphenyl)-3-[hydroxy-(4-propan-2-yloxyphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]phenyl]acetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations