Geometry & MOs

Info

ID:

300856

PubChem CID:

123055219

Reduced:

NO9H27C30 (1)

Stoich.:

AB9C27D30 (1)

Weight, g/mol:

515.194402

ΔHf, kcal/mol:

-257.0

Dipole, Da:

12.62

IP(EA), eV:

 -8.2(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-[(3Z)-3-[hydroxy-(4-propan-2-yloxyphenyl)methylidene]-1-(3-methylphenyl)-4,5-dioxopyrrolidin-2-yl]-2-methoxyphenyl] acetate

Drug info:

PubChemData

Smile

CC(C)OC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)C3=CC4=C(C=C3)OCO4)C5=CC(=C(C=C5)OC)OC(=O)C)/O

DOS

IR

Vibrations