Geometry & MOs

Info

ID:

300612

PubChem CID:

123045242

Reduced:

SN2O7H24C26 (1)

Stoich.:

AB2C7D24E26 (1)

Weight, g/mol:

529.210052

ΔHf, kcal/mol:

-192.25

Dipole, Da:

11.63

IP(EA), eV:

 -9.37(-1.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-methylpropyl 4-[(3E)-2-(3-hydroxyphenyl)-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=C(C=C3)S(=O)(=O)N)C4=CC(=CC=C4)O)/O

DOS

IR

Vibrations