Geometry & MOs

Info

ID:	348939
PubChem CID:	127274664
Reduced:	SN3O3C13H15 (1)
Stoich.:	AB3C3D13E15 (1)
Weight, g/mol:	321.094726
ΔH_f, kcal/mol:	-75.65
Dipole, Da:	6.58
IP(EA), eV:	-8.83(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-1-(1-methylpyrazol-3-yl)sulfonylspiro[2H-indole-3,1'-cyclobutane]

Drug info:

PubChemData

Smile

CC1=NC=C(N1)S(=O)(=O)NC2=CC3=C(C=C2)OCCC3

DOS

IR

Vibrations