Geometry & MOs

Info

ID:	70439
PubChem CID:	48413353
Reduced:	SN3O6C16H19 (1)
Stoich.:	AB3C6D16E19 (1)
Weight, g/mol:	362.130028
ΔH_f, kcal/mol:	-201.5
Dipole, Da:	3.96
IP(EA), eV:	-9.57(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)CCN(C1CC1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)C(=O)N3

DOS

IR

Vibrations