Geometry & MOs

Info

ID:

148690

PubChem CID:

53788359

Reduced:

ON8C23H30 (1)

Stoich.:

AB8C23D30 (1)

Weight, g/mol:

551.150841

ΔHf, kcal/mol:

71.59

Dipole, Da:

3.43

IP(EA), eV:

 -9.28(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,2-dimethylpropanoyloxymethyl (6S,7R)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-but-1-enyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CCCCC1=CC2=C(C=C1)N(N=N2)CNC(=O)NCN3C4=C(C=C(C=C4)CCCC)N=N3

DOS

IR

Vibrations