Geometry & MOs

Info

ID:	77624
PubChem CID:	49658446
Reduced:	ClSN2O3H17C18 (1)
Stoich.:	ABC2D3E17F18 (1)
Weight, g/mol:	370.10842
ΔH_f, kcal/mol:	-92.05
Dipole, Da:	4.26
IP(EA), eV:	-9.26(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 7-chloro-4-[(2-methylphenyl)methylamino]-2-oxo-1H-quinoline-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=C(C=C(C=C2)Cl)NC1=O)NCCC3=CC=CS3

DOS

IR

Vibrations