Geometry & MOs

Info

ID:	214475
PubChem CID:	85083102
Reduced:	O2N3C16H19 (1)
Stoich.:	A2B3C16D19 (1)
Weight, g/mol:	539.24145
ΔH_f, kcal/mol:	80.86
Dipole, Da:	2.73
IP(EA), eV:	-4.91(-2.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

difluoroboranyl 1-ethyl-6-fluoro-8-methoxy-7-[3-[1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylate

Drug info:

PubChemData

Smile

CC(=O)C1=C[N+](=CC=C1)CCC[N+]2=CC=CC(=C2)C=NO

DOS

IR

Vibrations