Geometry & MOs

Info

ID:

214578

PubChem CID:

85083223

Reduced:

NF2O2H12C15 (2)

Stoich.:

AB2C2D12E15 (2)

Weight, g/mol:

552.088575

ΔHf, kcal/mol:

-194.38

Dipole, Da:

6.18

IP(EA), eV:

 -8.64(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[[2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]amino]-8-oxo-3-[3-(6-oxoisoquinolin-2-yl)prop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)F)C(C(C2=C(C=CC(=C2F)OC)F)NC=C3C=CC=CC3=O)NC=C4C=CC=CC4=O)F

DOS

IR

Vibrations