Geometry & MOs

Info

ID:

214951

PubChem CID:

85083908

Reduced:

O12C35H38 (1)

Stoich.:

A12B35C38 (1)

Weight, g/mol:

650.232282

ΔHf, kcal/mol:

-384.42

Dipole, Da:

5.39

IP(EA), eV:

 -8.52(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[4-[6-[(2-amino-2-phenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carbonyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)OCC(C(C1=CC(=C(C=C1)OC)OC)OC2=C(C=C(C=C2)C=CC(=O)OC)OC)OC3=C(C=C(C=C3)C=CC(=O)OC)OC

DOS

IR

Vibrations