Geometry & MOs

Info

ID:	234266
PubChem CID:	92298059
Reduced:	BrCl2N3O3H18C29 (1)
Stoich.:	AB2C3D3E18F29 (1)
Weight, g/mol:	581.05057
ΔH_f, kcal/mol:	40.74
Dipole, Da:	6.28
IP(EA), eV:	-8.64(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-3-[(5R)-1-(4-chlorobenzoyl)-5-phenylpyrazolidin-3-ylidene]-4-phenylquinolin-2-one

Drug info:

PubChemData

Smile

C1[C@H](N(NC1=C2C(=C3C=C(C=CC3=NC2=O)Br)C4=CC=CC=C4)C(=O)C5=C(C=C(C=C5)Cl)Cl)C6=CC=CO6

DOS

IR

Vibrations