Geometry & MOs

Info

ID:	418429
PubChem CID:	135104713
Reduced:	SF3N3O3C13H18 (1)
Stoich.:	AB3C3D3E13F18 (1)
Weight, g/mol:	381.205242
ΔH_f, kcal/mol:	-257.84
Dipole, Da:	7.84
IP(EA), eV:	-9.17(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC2=NC=C(C=C2)C(F)(F)F

DOS

IR

Vibrations