Geometry & MOs

Info

ID:	425171
PubChem CID:	135125405
Reduced:	ClSF2O2N3H20C21 (1)
Stoich.:	ABC2D2E3F20G21 (1)
Weight, g/mol:	445.236542
ΔH_f, kcal/mol:	-114.6
Dipole, Da:	3.53
IP(EA), eV:	-9.18(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-methylquinolin-3-yl)-2'-propan-2-yloxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations