Geometry & MOs

Info

ID:

149519

PubChem CID:

53789192

Reduced:

SN3O6H21C22 (1)

Stoich.:

AB3C6D21E22 (1)

Weight, g/mol:

478.14749

ΔHf, kcal/mol:

-151.57

Dipole, Da:

6.19

IP(EA), eV:

 -9.49(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-(1-amino-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl)-14-ethylimino-9-fluoro-6-oxo-3-thia-13-azatetracyclo[9.2.1.04,13.07,12]tetradeca-1,4,7,9,11-pentaene-5-carboxylic acid

Drug info:

PubChemData

Smile

C1C(N2[C@@H](S1)[C@@H](C2=O)NC(=O)C(NC=O)OC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

DOS

IR

Vibrations