Geometry & MOs

Info

ID:

43920

PubChem CID:

10321987

Reduced:

NSO3C27H41 (1)

Stoich.:

ABC3D27E41 (1)

Weight, g/mol:

461.232599

ΔHf, kcal/mol:

-127.92

Dipole, Da:

3.89

IP(EA), eV:

 -8.54(0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-cyclopropyl-6-fluoro-7-[3-methyl-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidin-1-yl]-4-oxo-2,3-dihydroquinoline-3-carboxylic acid

Drug info:

PubChemData

Smile

CCC(CC)(C1=CC(=C(C=C1)CNS(=O)C)C)C2=CC(=C(C=C2)OCC(C(C)(C)C)O)C

DOS

IR

Vibrations