Geometry & MOs

Info

ID:	36632
PubChem CID:	8010127
Reduced:	OS2N6C16H18 (1)
Stoich.:	AB2C6D16E18 (1)
Weight, g/mol:	354.101585
ΔH_f, kcal/mol:	61.23
Dipole, Da:	3.62
IP(EA), eV:	-8.7(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-oxo-1H-quinoline-2-carboxylate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)N(C2=NC(=CS2)CSC3=NNC(=N3)N)C(=O)C

DOS

IR

Vibrations