Geometry & MOs

Info

ID:	16916
PubChem CID:	479642
Reduced:	N3O3F4C20H21 (1)
Stoich.:	A3B3C4D20E21 (1)
Weight, g/mol:	427.151904
ΔH_f, kcal/mol:	-279.72
Dipole, Da:	9.91
IP(EA), eV:	-9.11(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[(3S)-3-[(1R)-1-amino-2,2,2-trifluoroethyl]pyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C(=CN2C1=C(C=C(C2=O)C(=O)O)C3CC3)F)N4CC[C@@H](C4)[C@H](C(F)(F)F)N

DOS

IR

Vibrations