Geometry & MOs

Info

ID:	301899
PubChem CID:	123099677
Reduced:	SN2O3C15H20 (1)
Stoich.:	AB2C3D15E20 (1)
Weight, g/mol:	401.129694
ΔH_f, kcal/mol:	-107.39
Dipole, Da:	6.42
IP(EA), eV:	-8.56(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfinylpropoxy]benzoic acid

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2N(C1)C(=O)CS(=O)CCCC(=O)N

DOS

IR

Vibrations