Geometry & MOs

Info

ID:

219449

PubChem CID:

85148685

Reduced:

BrON5C26H30 (1)

Stoich.:

ABC5D26E30 (1)

Weight, g/mol:

510.178435

ΔHf, kcal/mol:

62.29

Dipole, Da:

4.72

IP(EA), eV:

 -8.72(-1.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-(1-hydroxyethyl)-3-[[1-[1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-2,5-dioxoimidazolidin-4-yl]methylsulfanyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

C1CCN(CC1)CC2=CC(=NC3=C4C(=NC=C3)C=C(C=N4)Br)C(=O)C(=C2)CN5CCCCC5

DOS

IR

Vibrations