Geometry & MOs

Info

ID:	192974
PubChem CID:	78330269
Reduced:	N3O3C16H23 (1)
Stoich.:	A3B3C16D23 (1)
Weight, g/mol:	491.232816
ΔH_f, kcal/mol:	-132.4
Dipole, Da:	4.67
IP(EA), eV:	-9.41(0.01)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)C(C1C(NC(=O)NC1=O)O)C2=CC=C(C=C2)C

DOS

IR

Vibrations