Geometry & MOs

Info

ID:	77615
PubChem CID:	49658406
Reduced:	SN2O3C19H20 (1)
Stoich.:	AB2C3D19E20 (1)
Weight, g/mol:	382.135114
ΔH_f, kcal/mol:	-88.63
Dipole, Da:	4.69
IP(EA), eV:	-9.01(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 8-methyl-4-[(4-methylsulfanylphenyl)methylamino]-2-oxo-1H-quinoline-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=CC=CC(=C2NC1=O)C)NCCC3=CC=CS3

DOS

IR

Vibrations