Geometry & MOs

Info

ID:	155751
PubChem CID:	56367335
Reduced:	ClN4O5C19H21 (1)
Stoich.:	AB4C5D19E21 (1)
Weight, g/mol:	478.167477
ΔH_f, kcal/mol:	-157.79
Dipole, Da:	4.96
IP(EA), eV:	-9.33(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]benzamide

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)C(=O)NCCC(=O)NCC2=CC=NC=C2)Cl)OCC(=O)N

DOS

IR

Vibrations