Geometry & MOs

Info

ID:

218349

PubChem CID:

85089212

Reduced:

O4N7C22H27 (1)

Stoich.:

A4B7C22D27 (1)

Weight, g/mol:

451.152555

ΔHf, kcal/mol:

-86.03

Dipole, Da:

5.64

IP(EA), eV:

 -9.08(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C(=O)C2C(N=C(N2CC3=CC=CC=C3C#N)N4CCCC(C4)N)N(C1=O)CC(=O)OC

DOS

IR

Vibrations