Geometry & MOs

Info

ID:	425367
PubChem CID:	135126073
Reduced:	ClSF2O2N3H18C20 (1)
Stoich.:	ABC2D2E3F18G20 (1)
Weight, g/mol:	445.236542
ΔH_f, kcal/mol:	-106.28
Dipole, Da:	3.26
IP(EA), eV:	-9.22(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(8-methylquinolin-7-yl)-N-propoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide

Drug info:

PubChemData

Smile

C[C@]1(C[C@@H](SC(=N1)N)C(=O)OC)C2=C(C=CC(=C2)/C=C(/C3=NC=C(C=C3)Cl)\F)F

DOS

IR

Vibrations