Geometry & MOs

Info

ID:	437762
PubChem CID:	135226991
Reduced:	SF2N2O2C20H20 (1)
Stoich.:	AB2C2D2E20F20 (1)
Weight, g/mol:	421.127169
ΔH_f, kcal/mol:	-108.82
Dipole, Da:	2.89
IP(EA), eV:	-8.37(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCSC1=CC(=C(C=C1)OCC2CC2(F)F)C3=CN(C(=O)C4=C3C=CN4)C

DOS

IR

Vibrations