Geometry & MOs

Info

ID:	425452
PubChem CID:	135126374
Reduced:	SF3N3O3C18H22 (1)
Stoich.:	AB3C3D3E18F22 (1)
Weight, g/mol:	414.194343
ΔH_f, kcal/mol:	-223.1
Dipole, Da:	4.13
IP(EA), eV:	-9.73(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CS(=O)(=O)N(C(=N1)N)C)C2=C(C(=CC(=C2)C=C(C3CCOCC3)F)F)F

DOS

IR

Vibrations