Geometry & MOs

Info

ID:

6485

PubChem CID:

68735

Reduced:

SN5O6C11H13 (2)

Stoich.:

AB5C6D11E13 (2)

Weight, g/mol:

686.117309

ΔHf, kcal/mol:

-348.91

Dipole, Da:

9.94

IP(EA), eV:

 -8.96(-1.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[1-(2-amino-1,3-thiazol-4-yl)-2-[[1-[[3-[(5-hydroxy-4-oxo-1H-pyridine-2-carbonyl)amino]-2-oxoimidazolidin-1-yl]sulfonylcarbamoyl]-2-oxoazetidin-3-yl]amino]-2-oxoethyl]amino]oxy-2-methylpropanoic acid

Drug info:

PubChemData

Smile

CC(C)(C(=O)O)ONC(C1=CSC(=N1)N)C(=O)NC2CN(C2=O)C(=O)NS(=O)(=O)N3CCN(C3=O)NC(=O)C4=CC(=O)C(=CN4)O

DOS

IR

Vibrations