Geometry & MOs

Info

ID:	190520
PubChem CID:	78015821
Reduced:	SF3O3N5C20H22 (1)
Stoich.:	AB3C3D5E20F22 (1)
Weight, g/mol:	246.091689
ΔH_f, kcal/mol:	-212.07
Dipole, Da:	7.74
IP(EA), eV:	-8.89(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-3-[(3-methyl-2,3-dihydro-1H-1,2,4-triazol-5-yl)methylidene]-1H-indol-2-one

Drug info:

PubChemData

Smile

CC1=NC=C(N1)C=C2C3=C(C=CC=C3S(=O)(=O)N4CCCN(CC4)CC(F)(F)F)NC2=O

DOS

IR

Vibrations