Geometry & MOs

Info

ID:

219103

PubChem CID:

85090528

Reduced:

SF2N4O6H22C26 (1)

Stoich.:

AB2C4D6E22F26 (1)

Weight, g/mol:

556.104619

ΔHf, kcal/mol:

-247.23

Dipole, Da:

4.38

IP(EA), eV:

 -9.68(-1.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,2-dimethylpropanoyloxymethyl 7-[[2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]amino]-3-(carbamoyloxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)NC(=O)C4C=NC5=CC(=C(C=C5C4=O)F)F)C(=O)O)C

DOS

IR

Vibrations