Geometry & MOs

Info

ID:	425202
PubChem CID:	135125509
Reduced:	BrSN2O2F3H16C20 (1)
Stoich.:	ABC2D2E3F16G20 (1)
Weight, g/mol:	346.168128
ΔH_f, kcal/mol:	-137.5
Dipole, Da:	5.07
IP(EA), eV:	-9.52(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(8-methoxyquinolin-7-yl)spiro[3H-1-benzofuran-2,4'-piperidine]

Drug info:

PubChemData

Smile

C1[C@H]2[C@@H](OC[C@]2(N=C(S1)NC(=O)C3=CC=CC=C3)C4=C(C=CC(=C4)Br)F)C(F)F

DOS

IR

Vibrations