Geometry & MOs

Info

ID:	192769
PubChem CID:	78310190
Reduced:	FN2O4H21C23 (1)
Stoich.:	AB2C4D21E23 (1)
Weight, g/mol:	488.153656
ΔH_f, kcal/mol:	-115.14
Dipole, Da:	6.5
IP(EA), eV:	-9.54(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-cyclopentyl-N-[(6-oxo-4,4a,5,7,8,8a,9,9a-octahydro-3aH-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)N(CC2C=C3C=C4C(=CC3=NC2=O)OCO4)C(=O)C5=CC=CC=C5F

DOS

IR

Vibrations