Geometry & MOs

Info

ID:

301129

PubChem CID:

123059983

Reduced:

ClNO6H30C31 (1)

Stoich.:

ABC6D30E31 (1)

Weight, g/mol:

533.160515

ΔHf, kcal/mol:

-188.3

Dipole, Da:

9.74

IP(EA), eV:

 -8.66(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

propan-2-yl 3-[(3E)-2-(4-chlorophenyl)-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)CC(=O)OC(C)C)C4=CC=C(C=C4)Cl)/O

DOS

IR

Vibrations