Geometry & MOs

Info

ID:	174721
PubChem CID:	75806496
Reduced:	N3O4C17H18 (1)
Stoich.:	A3B4C17D18 (1)
Weight, g/mol:	410.118595
ΔH_f, kcal/mol:	-102.86
Dipole, Da:	3.98
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.765112
Charge, e:	-1

Chem-info

IUPAC name:

N-[4-[(6-fluoro-4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoline-3-carbonyl)amino]phenyl]sulfonylethanimidate

Drug info:

PubChemData

Smile

CC(C)C(C(=O)[O-])NC(=O)CN1C(=O)C=CC(=N1)C2=CC=CC=C2

DOS

IR

Vibrations