Geometry & MOs

Info

ID:	70465
PubChem CID:	48413386
Reduced:	N2S2O6C15H22 (1)
Stoich.:	A2B2C6D15E22 (1)
Weight, g/mol:	376.145678
ΔH_f, kcal/mol:	-212.62
Dipole, Da:	6.83
IP(EA), eV:	-10.03(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)CCN(CC1CC1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N

DOS

IR

Vibrations