Geometry & MOs

Info

ID:	223431
PubChem CID:	85335035
Reduced:	SF2N2O3C15H22 (1)
Stoich.:	AB2C2D3E15F22 (1)
Weight, g/mol:	357.114713
ΔH_f, kcal/mol:	-211.47
Dipole, Da:	5.97
IP(EA), eV:	-8.82(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(2-pyridin-4-yl-1,3-thiazol-4-yl)-4,4a,5,7,8,8a,9,9a-octahydro-3aH-[1,3]dioxolo[4,5-g]quinolin-6-one

Drug info:

PubChemData

Smile

CC1CCC(N1CC(CNS(=O)(=O)C2=C(C=CC(=C2)F)F)O)C

DOS

IR

Vibrations