Geometry & MOs

Info

ID:

192975

PubChem CID:

78330576

Reduced:

SN4O5C24H35 (1)

Stoich.:

AB4C5D24E35 (1)

Weight, g/mol:

490.224991

ΔHf, kcal/mol:

-166.54

Dipole, Da:

4.5

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.752399

Charge, e:

 0

Chem-info

IUPAC name:

6-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-morpholin-4-ylethyl)-4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoline-3-carboxamide

Drug info:

PubChemData

Smile

C1CC2C(CC1S(=O)(=O)N3CCC4=CC=CC=C43)C(=O)C(CN2)C(=O)NCC[NH+]5CCOCC5

DOS

IR

Vibrations