Geometry & MOs

Info

ID:	122106
PubChem CID:	50794709
Reduced:	SN3O4C23H27 (1)
Stoich.:	AB3C4D23E27 (1)
Weight, g/mol:	485.198442
ΔH_f, kcal/mol:	-144.19
Dipole, Da:	7.05
IP(EA), eV:	-8.73(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methoxy-5-methylphenyl)-2-[6-(2-methylpiperidin-1-yl)sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NC(=O)CN2C(=O)CCC3=C2C=CC(=C3)S(=O)(=O)N4CCCC4

DOS

IR

Vibrations