Geometry & MOs

Info

ID:	437812
PubChem CID:	135227098
Reduced:	SN3O3C18H21 (1)
Stoich.:	AB3C3D18E21 (1)
Weight, g/mol:	482.122418
ΔH_f, kcal/mol:	-70.84
Dipole, Da:	3.39
IP(EA), eV:	-8.78(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=N)(=O)CC(C)(C)O)C2=CNC(=O)C3=C2C=CN3

DOS

IR

Vibrations