Geometry & MOs

Info

ID:

43992

PubChem CID:

10322781

Reduced:

NSF3O4H22C24 (1)

Stoich.:

ABC3D4E22F24 (1)

Weight, g/mol:

477.168205

ΔHf, kcal/mol:

-276.08

Dipole, Da:

5.09

IP(EA), eV:

 -9.21(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-[1-[4-(piperazine-1-carbonyl)-1,3-oxazol-2-yl]azetidin-3-yl]sulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)CCC1=CC=C(C=C1)CNC(=O)C2=CC(=CS2)C3=CC=C(C=C3)OC(F)(F)F

DOS

IR

Vibrations