Geometry & MOs

Info

ID:	121236
PubChem CID:	50759639
Reduced:	ClFSN3O3H15C18 (1)
Stoich.:	ABCD3E3F15G18 (1)
Weight, g/mol:	393.151098
ΔH_f, kcal/mol:	-61.79
Dipole, Da:	5.91
IP(EA), eV:	-8.67(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-dihydroindol-1-yl)-6-piperidin-1-ylsulfonylquinoline

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC(=O)CSCC2=NC(=NO2)C3=CC=C(C=C3)F)Cl

DOS

IR

Vibrations