Geometry & MOs

Info

ID:	425010
PubChem CID:	135124853
Reduced:	SF3O4N6C28H29 (1)
Stoich.:	AB3C4D6E28F29 (1)
Weight, g/mol:	430.189257
ΔH_f, kcal/mol:	-171.47
Dipole, Da:	2.25
IP(EA), eV:	-8.66(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclopropyl-[6-(8-methoxyquinolin-7-yl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl]methanone

Drug info:

PubChemData

Smile

CC1CC2=C(C=C(C=C2)C(F)(F)F)S(N(C1)CC3=CC(=CC=C3)N4C(=C(C=N4)C(=O)O)C5CC5C6=CN(N=N6)C)(O)O

DOS

IR

Vibrations