Geometry & MOs

Info

ID:	139492
PubChem CID:	52542301
Reduced:	ClSN3O3C20H31 (1)
Stoich.:	ABC3D3E20F31 (1)
Weight, g/mol:	301.167794
ΔH_f, kcal/mol:	-110.78
Dipole, Da:	11.86
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754973
Charge, e:	0

Chem-info

IUPAC name:

2-methoxyethyl 3-ethyl-2-propylquinoline-4-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](C[NH+](C1)CCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl)C

DOS

IR

Vibrations