Geometry & MOs

Info

ID:	62121
PubChem CID:	26717648
Reduced:	ClNOC9H9 (2)
Stoich.:	ABCD9E9 (2)
Weight, g/mol:	498.06279
ΔH_f, kcal/mol:	-70.54
Dipole, Da:	3.41
IP(EA), eV:	-9.46(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

quinolin-8-yl 1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NCC(=O)N[C@H](C)C2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations