Geometry & MOs

Info

ID:	133442
PubChem CID:	51527961
Reduced:	N2Cl3O3H15C23 (1)
Stoich.:	A2B3C3D15E23 (1)
Weight, g/mol:	490.072522
ΔH_f, kcal/mol:	-26.13
Dipole, Da:	4.57
IP(EA), eV:	-9.33(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(5E)-1-(2-chlorophenyl)-5-[[1-[(2-chlorophenyl)methyl]-2,3-dihydroindol-5-yl]methylidene]-4,6-dioxopyrimidin-2-olate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2[C@H]([C@@H]3[C@@H](O2)C(=O)N(C3=O)C4=CC(=C(C=C4)Cl)Cl)C5=CC=CC=C5Cl

DOS

IR

Vibrations