Geometry & MOs

Info

ID:	168341
PubChem CID:	74954394
Reduced:	ClO2S2N5C28H28 (1)
Stoich.:	AB2C2D5E28F28 (1)
Weight, g/mol:	452.188212
ΔH_f, kcal/mol:	14.79
Dipole, Da:	6.24
IP(EA), eV:	-8.78(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-6-yl]-4-methoxypiperidine-1-sulfonamide

Drug info:

PubChemData

Smile

CCN(C)C1=NC(=C(S1)C2=CC(=CC=C2)Cl)C(=O)N3C4CCC(C4)C3CNC(=O)C5=C6C(=CC=C5)N=CS6

DOS

IR

Vibrations