Geometry & MOs

Info

ID:	234257
PubChem CID:	92298036
Reduced:	Cl2O2N3H23C33 (1)
Stoich.:	A2B2C3D23E33 (1)
Weight, g/mol:	563.116732
ΔH_f, kcal/mol:	81.15
Dipole, Da:	6.2
IP(EA), eV:	-8.43(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-3-[(5R)-1-(2-chlorobenzoyl)-5-[(E)-2-phenylethenyl]pyrazolidin-3-ylidene]-4-phenylquinolin-2-one

Drug info:

PubChemData

Smile

C1[C@H](N(NC1=C2C(=C3C=C(C=CC3=NC2=O)Cl)C4=CC=CC=C4)C(=O)C5=CC=CC=C5Cl)/C=C/C6=CC=CC=C6

DOS

IR

Vibrations