Geometry & MOs

Info

ID:	70411
PubChem CID:	48413311
Reduced:	ClSN2O6C14H17 (1)
Stoich.:	ABC2D6E14F17 (1)
Weight, g/mol:	378.124943
ΔH_f, kcal/mol:	-137.68
Dipole, Da:	4.85
IP(EA), eV:	-10.02(-2.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[cyclopropyl-(8-methoxyquinolin-5-yl)sulfonylamino]propanoate

Drug info:

PubChemData

Smile

CCOC(=O)CCN(C1CC1)S(=O)(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

DOS

IR

Vibrations