Geometry & MOs

Info

ID:	234265
PubChem CID:	92298058
Reduced:	BrO2N4H21C30 (1)
Stoich.:	AB2C4D21E30 (1)
Weight, g/mol:	604.99086
ΔH_f, kcal/mol:	99.56
Dipole, Da:	7.1
IP(EA), eV:	-8.56(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-3-[(5S)-1-(2,4-dichlorobenzoyl)-5-(furan-2-yl)pyrazolidin-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=CN=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations