Geometry & MOs

Info

ID:	161897
PubChem CID:	57392986
Reduced:	ClO2N4H19C22 (1)
Stoich.:	AB2C4D19E22 (1)
Weight, g/mol:	471.168188
ΔH_f, kcal/mol:	78.99
Dipole, Da:	4.67
IP(EA), eV:	-8.82(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(3E)-2-(4-ethylphenyl)-3-[hydroxy-(4-methoxyphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]methyl]benzoic acid

Drug info:

PubChemData

Smile

C1CCC(CC1)N2C3=C(C=C4C=CC=NC4=C3Cl)N=C2C5=CC=C(C=C5)[N+](=O)[O-]

DOS

IR

Vibrations