Geometry & MOs

Info

ID:	234264
PubChem CID:	92298056
Reduced:	BrClO2N3H21C31 (1)
Stoich.:	ABC2D3E21F31 (1)
Weight, g/mol:	548.08479
ΔH_f, kcal/mol:	79.06
Dipole, Da:	8.16
IP(EA), eV:	-8.52(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-4-phenyl-3-[(5S)-5-phenyl-1-(pyridine-3-carbonyl)pyrazolidin-3-ylidene]quinolin-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=CC=C(C=C5)Cl)C6=CC=CC=C6

DOS

IR

Vibrations