Geometry & MOs

Info

ID:	159305
PubChem CID:	57269536
Reduced:	SO2N3C7H11 (1)
Stoich.:	AB2C3D7E11 (1)
Weight, g/mol:	622.255813
ΔH_f, kcal/mol:	-41.33
Dipole, Da:	7.45
IP(EA), eV:	-9.42(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[2-[[7-chloro-3-(3,5-dimethylphenyl)-6-(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)-2-oxo-1H-quinolin-4-yl]oxy]ethyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CS(=O)(=O)C(C#N)C1=NCCCN1

DOS

IR

Vibrations