Geometry & MOs

Info

ID:	142906
PubChem CID:	53112777
Reduced:	S2N4O5C17H22 (1)
Stoich.:	A2B4C5D17E22 (1)
Weight, g/mol:	328.142307
ΔH_f, kcal/mol:	-188.93
Dipole, Da:	4.44
IP(EA), eV:	-9.44(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[2-(cyclopentylamino)-2-oxoethoxy]quinoline-2-carboxylate

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)CNC(=O)C)SC1=O

DOS

IR

Vibrations