Geometry & MOs

Info

ID:	270459
PubChem CID:	103636686
Reduced:	ClISO2N3H7C12 (1)
Stoich.:	ABCD2E3F7G12 (1)
Weight, g/mol:	303.047776
ΔH_f, kcal/mol:	33.43
Dipole, Da:	3.34
IP(EA), eV:	-9.69(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]pyridine-2-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1I)Cl)NS(=O)(=O)C2=CN=C(C=C2)C#N

DOS

IR

Vibrations