Geometry & MOs

Info

ID:

176871

PubChem CID:

76106818

Reduced:

N7O8C26H33 (1)

Stoich.:

A7B8C26D33 (1)

Weight, g/mol:

542.088969

ΔHf, kcal/mol:

-252.46

Dipole, Da:

9.11

IP(EA), eV:

 -10.03(-1.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(acetyloxymethyl)-7-[[2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(1-carboxy-2-methylpropoxy)iminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)CN(CC(C(=O)OC(C)(C)C)N)C(=O)CN1C=NC2C1=NC(=NC2=O)NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations