Geometry & MOs

Info

ID:	187003
PubChem CID:	77515415
Reduced:	FSCl2O3N5C25H30 (1)
Stoich.:	ABC2D3E5F25G30 (1)
Weight, g/mol:	455.078721
ΔH_f, kcal/mol:	-165.56
Dipole, Da:	5.48
IP(EA), eV:	-8.79(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[(4-ethoxycarbonylphenyl)sulfamoyl]-4-oxo-5,9b-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid

Drug info:

PubChemData

Smile

COC1=CC2=C(C=CN=C2C=C1)C(CN3CCC(C(C3)F)NCC4=CC5=C(N=C4)SCC(=O)N5)O.Cl.Cl

DOS

IR

Vibrations