Geometry & MOs

Info

ID:

83956

PubChem CID:

49862837

Reduced:

F3N3O4H20C21 (1)

Stoich.:

A3B3C4D20E21 (1)

Weight, g/mol:

560.118812

ΔHf, kcal/mol:

-258.8

Dipole, Da:

8.24

IP(EA), eV:

 -9.9(-1.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6R,7R)-7-[(2-naphthalen-2-ylsulfanylacetyl)amino]-8-oxo-3-[(E)-3-(pyridine-3-carbonylamino)prop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CCC(=O)N1C[C@@]2([C@@H]3[C@@H](C(=O)N(C3=O)C4=CC(=C(C=C4)C#N)C(F)(F)F)[C@](C1)(O2)C)C

DOS

IR

Vibrations