Geometry & MOs

Info

ID:

49461

PubChem CID:

11533054

Reduced:

N2O9H18C24 (1)

Stoich.:

A2B9C18D24 (1)

Weight, g/mol:

478.146404

ΔHf, kcal/mol:

-127.31

Dipole, Da:

3.13

IP(EA), eV:

 -8.95(-2.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[3-[amino(1,3-oxazol-2-yl)methyl]pyrrolidin-1-yl]-1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-4-oxoquinoline-3-carboxylic acid

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)C2=CC(=C3C(=C2O)C(=O)C4=C(C=CC(=C4C3=O)O)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations