Geometry & MOs

Info

ID:	234256
PubChem CID:	92298035
Reduced:	ClN2O3H23C27 (1)
Stoich.:	AB2C3D23E27 (1)
Weight, g/mol:	563.116732
ΔH_f, kcal/mol:	-5.75
Dipole, Da:	0.57
IP(EA), eV:	-8.77(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C(=C/C2=NC=CN2CCCOC3=CC=CC=C3Cl)/OC(=O)C4=CC=CC=C4

DOS

IR

Vibrations