Geometry & MOs

Info

ID:	425187
PubChem CID:	135125461
Reduced:	SO3N6C26H26 (1)
Stoich.:	AB3C6D26E26 (1)
Weight, g/mol:	438.134635
ΔH_f, kcal/mol:	-13.53
Dipole, Da:	4.76
IP(EA), eV:	-8.98(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-(8-chloroquinolin-7-yl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxylate

Drug info:

PubChemData

Smile

C1CC2(CCC1(CC2)CC#N)N3C(=NC4=CN=C5C(=C43)C=CN5S(=O)(=O)C6=CC=CC=C6)CC(=O)N

DOS

IR

Vibrations