Geometry & MOs

Info

ID:	187923
PubChem CID:	77643580
Reduced:	SO4N5C27H29 (1)
Stoich.:	AB4C5D27E29 (1)
Weight, g/mol:	472.304956
ΔH_f, kcal/mol:	-69.08
Dipole, Da:	4.52
IP(EA), eV:	-8.92(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[6-[6-[3-(dimethylamino)propylcarbamoyl]-2-oxo-6H-quinolin-5-yl]hexyl]carbamate

Drug info:

PubChemData

Smile

CCC1=CC2=C(N=C(N=C2S1)OCC(CO)O)N3CCN(CC3)C(=O)C4=CC=CC(=C4)C5=CN=CC=C5

DOS

IR

Vibrations