Geometry & MOs

Info

ID:	192952
PubChem CID:	78328496
Reduced:	NF2O4H19C22 (1)
Stoich.:	AB2C4D19E22 (1)
Weight, g/mol:	485.125671
ΔH_f, kcal/mol:	-180.28
Dipole, Da:	1.95
IP(EA), eV:	-9.68(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-oxo-4aH-quinoline-4-carboxylate

Drug info:

PubChemData

Smile

C1CC2C(CC1F)C(=O)C3=C(O2)C(=O)N(C3C4=CC(=CC=C4)F)CC5=CC=CO5

DOS

IR

Vibrations