Geometry & MOs

Info

ID:

309201

PubChem CID:

126540088

Reduced:

O3N6C28H36 (1)

Stoich.:

A3B6C28D36 (1)

Weight, g/mol:

519.115873

ΔHf, kcal/mol:

-56.45

Dipole, Da:

4.03

IP(EA), eV:

 -9.13(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[4-[2-(diaminomethylideneamino)-2,3-dihydro-1,3-thiazole-4-carbonyl]piperazin-1-yl]-6-fluoro-1-methyl-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)CN2CC3(C2)CCN(CC3)C(=O)C=C)NC4=NC=C5COC(=O)N(C5=N4)C(C)C

DOS

IR

Vibrations