Geometry & MOs

Info

ID:

179669

PubChem CID:

76518312

Reduced:

FN5O7C27H32 (1)

Stoich.:

AB5C7D27E32 (1)

Weight, g/mol:

527.218012

ΔHf, kcal/mol:

-181.66

Dipole, Da:

9.62

IP(EA), eV:

 -9.0(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[3-(aminomethyl)-4-[(3,4-dimethoxyphenyl)methoxyimino]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-4a,8a-dihydro-1,8-naphthyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)CON=C2CN(CC2CN)C3=NC4C(C=C3F)C(=O)C(=CN4C5CC5)C(=O)O)OC)OC

DOS

IR

Vibrations