Geometry & MOs

Info

ID:	437802
PubChem CID:	135227088
Reduced:	SF2N3O3C21H23 (1)
Stoich.:	AB2C3D3E21F23 (1)
Weight, g/mol:	498.092868
ΔH_f, kcal/mol:	-126.88
Dipole, Da:	2.96
IP(EA), eV:	-8.49(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(4-chloro-2-fluorophenoxy)-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl]sulfonimidoyl]-2-methylpropanenitrile

Drug info:

PubChemData

Smile

CC(C)S(=N)(=O)C1=CC(=C(C=C1)OCC2CC2(F)F)C3=CN(C(=O)C4=C3C=CN4)C

DOS

IR

Vibrations