Geometry & MOs

Info

ID:	85813
PubChem CID:	49879501
Reduced:	ClSN3O3H17C18 (1)
Stoich.:	ABC3D3E17F18 (1)
Weight, g/mol:	371.116245
ΔH_f, kcal/mol:	-9.41
Dipole, Da:	5.89
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750022
Charge, e:	-1

Chem-info

IUPAC name:

ethyl 4-(4-methoxyanilino)-2-methylquinoline-6-carboxylate;chloride

Drug info:

PubChemData

Smile

CCS(=O)(=O)C1=CC(=C(C=C1)O)NC2=NC=NC(=C2)C3=CC=CC=C3.[Cl-]

DOS

IR

Vibrations