Geometry & MOs

Info

ID:	121679
PubChem CID:	50776687
Reduced:	SO2N3C25H25 (1)
Stoich.:	AB2C3D25E25 (1)
Weight, g/mol:	370.10842
ΔH_f, kcal/mol:	-0.12
Dipole, Da:	2.57
IP(EA), eV:	-8.62(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-chloro-2-oxo-4-(2-phenylethylamino)-1H-quinoline-3-carboxylate

Drug info:

PubChemData

Smile

COC1=CC2=C3C(=CN=C2C=C1)C(=C(S3)C(=O)NCCN4CCCC4)C5=CC=CC=C5

DOS

IR

Vibrations