Geometry & MOs

Info

ID:	61959
PubChem CID:	26716318
Reduced:	BrO2N3C19H22 (1)
Stoich.:	AB2C3D19E22 (1)
Weight, g/mol:	446.130028
ΔH_f, kcal/mol:	-96.88
Dipole, Da:	6.71
IP(EA), eV:	-8.54(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

quinolin-8-yl 1-naphthalen-2-ylsulfonylpiperidine-4-carboxylate

Drug info:

PubChemData

Smile

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)Br)CC(=O)NC4=CC5=C(C=C4)NC(=O)N5

DOS

IR

Vibrations