Geometry & MOs

Info

ID:	172040
PubChem CID:	75458421
Reduced:	O2S2F3N3C14H16 (1)
Stoich.:	A2B2C3D3E14F16 (1)
Weight, g/mol:	540.111981
ΔH_f, kcal/mol:	-186.99
Dipole, Da:	7.03
IP(EA), eV:	-9.38(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-4-(4-chlorophenyl)-3-[5-(2-chloroquinolin-3-yl)-1-propanoylpyrazolidin-3-ylidene]quinolin-2-one

Drug info:

PubChemData

Smile

CC(C)(C)C1=NN=C(S1)NS(=O)(=O)CC2=CC=CC=C2C(F)(F)F

DOS

IR

Vibrations