Geometry & MOs

Info

ID:

124870

PubChem CID:

50900294

Reduced:

SP3N9O17C27H46 (1)

Stoich.:

AB3C9D17E27F46 (1)

Weight, g/mol:

355.086744

ΔHf, kcal/mol:

-902.3

Dipole, Da:

11.87

IP(EA), eV:

 -9.2(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(1S)-1-carboxy-2-methylpropyl]-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)N4CCNCC4)O

DOS

IR

Vibrations