Geometry & MOs

Info

ID:	187466
PubChem CID:	77575253
Reduced:	Cl3O3N4C26H29 (1)
Stoich.:	A3B3C4D26E29 (1)
Weight, g/mol:	458.162391
ΔH_f, kcal/mol:	-107.1
Dipole, Da:	2.73
IP(EA), eV:	-9.54(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-oxo-8-(piperidin-4-ylsulfamoyl)-3,9a-dihydropyrrolo[2,3-c]quinolin-1-yl]cyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC1)C(=O)N2CCC(C(C2)C3=CC(=C(C=C3)Cl)Cl)N(C)C(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations