Geometry & MOs

Info

ID:	149544
PubChem CID:	53789217
Reduced:	OSN2C11H16 (1)
Stoich.:	ABC2D11E16 (1)
Weight, g/mol:	391.02193
ΔH_f, kcal/mol:	10.96
Dipole, Da:	5.78
IP(EA), eV:	-8.76(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-(3-bromo-4-fluorophenyl)-4,6,7,8,9a,10-hexahydro-3H-pyrano[4,3-b]quinoline-1,9-dione

Drug info:

PubChemData

Smile

CC(C)CN(C1CC1)C2=NC(=CS2)C=O

DOS

IR

Vibrations