Geometry & MOs

Info

ID:

214547

PubChem CID:

85083175

Reduced:

N3O11C25H31 (1)

Stoich.:

A3B11C25D31 (1)

Weight, g/mol:

547.094388

ΔHf, kcal/mol:

-431.39

Dipole, Da:

1.42

IP(EA), eV:

 -9.26(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-3-[2-(prop-2-enoxycarbonylamino)-1,3-thiazol-4-yl]-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

C1CN(C(=O)NC1=O)C2C(C(C(O2)COC3C(C(C(C(O3)CO)O)OCC4=NC5=CC=CC=C5C=C4)O)O)O

DOS

IR

Vibrations