Geometry & MOs

Info

ID:	31315
PubChem CID:	855565
Reduced:	SN2O3C18H22 (1)
Stoich.:	AB2C3D18E22 (1)
Weight, g/mol:	291.056529
ΔH_f, kcal/mol:	-87.9
Dipole, Da:	6.48
IP(EA), eV:	-8.76(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(7-ethyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]acetic acid

Drug info:

PubChemData

Smile

CCC1=C(N=C2C=C(C=CC2=C1)OC)SCC(=O)N3CCOCC3

DOS

IR

Vibrations