Geometry & MOs

Info

ID:	245046
PubChem CID:	99432243
Reduced:	O3N5C21H25 (1)
Stoich.:	A3B5C21D25 (1)
Weight, g/mol:	439.120192
ΔH_f, kcal/mol:	-61.37
Dipole, Da:	6.04
IP(EA), eV:	-8.51(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(4-sulfamoylphenyl)ethyl] 2-pyrrolidin-1-ylquinoline-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(C)CC(=O)NC1=NN(C=C1)CC2=CC=CC3=C2N=CC=C3

DOS

IR

Vibrations