Geometry & MOs

Info

ID:

219435

PubChem CID:

85148664

Reduced:

BrPSN5O7C14H15 (1)

Stoich.:

ABCD5E7F14G15 (1)

Weight, g/mol:

508.199171

ΔHf, kcal/mol:

-250.89

Dipole, Da:

5.85

IP(EA), eV:

 -9.27(-1.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C2C(C(C(O2)N3C=NC4=C(N=CN=C43)N)O)OP(=O)(O1)SCC(=O)C(=O)CBr

DOS

IR

Vibrations