Geometry & MOs

Info

ID:	141024
PubChem CID:	52804826
Reduced:	FSN3O5C20H20 (1)
Stoich.:	ABC3D5E20F20 (1)
Weight, g/mol:	422.128686
ΔH_f, kcal/mol:	-178.33
Dipole, Da:	6.5
IP(EA), eV:	-8.63(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

[1-[2-(dimethylamino)-2-oxoethyl]indol-5-yl]-(1-phenylpyrazol-4-yl)sulfonylazanide

Drug info:

PubChemData

Smile

CN(C)C(=O)CN1C=CC2=C1C=CC(=C2)NS(=O)(=O)C3=C(C=CC(=C3)C(=O)OC)F

DOS

IR

Vibrations