Geometry & MOs

Info

ID:	121238
PubChem CID:	50759641
Reduced:	SO2N3C22H25 (1)
Stoich.:	AB2C3D22E25 (1)
Weight, g/mol:	421.182398
ΔH_f, kcal/mol:	-24.6
Dipole, Da:	8.55
IP(EA), eV:	-8.77(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methyl-2,3-dihydroindol-1-yl)-6-(4-methylpiperidin-1-yl)sulfonylquinoline

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)NC2=NC3=C(C=C2)C=C(C=C3)S(=O)(=O)N4CCCCC4

DOS

IR

Vibrations