Geometry & MOs

Info

ID:	437859
PubChem CID:	135227198
Reduced:	ClFSN3O3H19C22 (1)
Stoich.:	ABCD3E3F19G22 (1)
Weight, g/mol:	428.076155
ΔH_f, kcal/mol:	-60.7
Dipole, Da:	2.44
IP(EA), eV:	-8.51(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(4-chloro-2-fluorophenoxy)-5-ethylsulfanylphenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one

Drug info:

PubChemData

Smile

CCS(=N)(=O)C1=CC(=C(C=C1)OC2=C(C=C(C=C2)Cl)F)C3=CN(C(=O)C4=C3C=CN4)C

DOS

IR

Vibrations