Geometry & MOs

Info

ID:	437755
PubChem CID:	135226984
Reduced:	SN2F3O3H19C24 (1)
Stoich.:	AB2C3D3E19F24 (1)
Weight, g/mol:	469.127169
ΔH_f, kcal/mol:	-174.46
Dipole, Da:	3.47
IP(EA), eV:	-8.52(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-(cyclopropylmethylsulfonimidoyl)-2-(2,4-difluorophenoxy)phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one

Drug info:

PubChemData

Smile

CN1C=C(C2=C(C1=O)NC=C2)C3=C(C=CC(=C3)SC4CC4)OC5=CC=C(C=C5)OC(F)(F)F

DOS

IR

Vibrations