Geometry & MOs

Info

ID:	300576
PubChem CID:	123043604
Reduced:	NCl2O4H17C24 (1)
Stoich.:	AB2C4D17E24 (1)
Weight, g/mol:	457.152537
ΔH_f, kcal/mol:	-86.58
Dipole, Da:	6.38
IP(EA), eV:	-8.86(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propyl 4-[(3E)-2-(3-hydroxyphenyl)-3-[hydroxy(phenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)O)N2C(/C(=C(\C3=CC=CC=C3)/O)/C(=O)C2=O)C4=CC(=C(C=C4)Cl)Cl

DOS

IR

Vibrations