Geometry & MOs

Info

ID:	437828
PubChem CID:	135227114
Reduced:	OSN4C22H22 (1)
Stoich.:	ABC4D22E22 (1)
Weight, g/mol:	480.106768
ΔH_f, kcal/mol:	74.92
Dipole, Da:	5.8
IP(EA), eV:	-8.42(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C2=C(C1=O)NC=C2)C3=C(C=CC(=C3)SC4(CC4)C#N)NCC5CC5

DOS

IR

Vibrations