Geometry & MOs

Info

ID:

222903

PubChem CID:

85333000

Reduced:

F2N2O5H30C35 (1)

Stoich.:

A2B2C5D30E35 (1)

Weight, g/mol:

597.23989

ΔHf, kcal/mol:

-187.89

Dipole, Da:

2.35

IP(EA), eV:

 -8.77(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[3-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-4-(aminomethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-2,3-dihydroquinoline-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C2=C(N1C(=O)C3=C(C=C(C=C3)OCC4CN(C5=CC=CC=C5O4)C)F)C=CC(=C2)F)CC(=O)OCC6=CC=CC=C6

DOS

IR

Vibrations