Geometry & MOs

Info

ID:	234263
PubChem CID:	92298055
Reduced:	BrO2N4H29C31 (1)
Stoich.:	AB2C4D29E31 (1)
Weight, g/mol:	581.05057
ΔH_f, kcal/mol:	52.16
Dipole, Da:	11.73
IP(EA), eV:	-8.34(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(CC1)CC(=O)N2[C@@H](CC(=C3C(=C4C=C(C=CC4=NC3=O)Br)C5=CC=CC=C5)N2)C6=CC=CC=C6

DOS

IR

Vibrations