Geometry & MOs

Info

ID:

219726

PubChem CID:

85164687

Reduced:

O13C28H30 (1)

Stoich.:

A13B28C30 (1)

Weight, g/mol:

574.057669

ΔHf, kcal/mol:

-528.24

Dipole, Da:

7.68

IP(EA), eV:

 -8.72(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[[2-(2-amino-1,3-thiazol-4-yl)-3-[[3-(1,5-dihydroxy-4-oxopyridin-2-yl)-1,2-oxazol-5-yl]methoxy]prop-2-enoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1C2=C(C=C3C=CC=C(C3=C2OC4C(C(C(C(O4)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC)C(=O)O1

DOS

IR

Vibrations