Geometry & MOs

Info

ID:

215330

PubChem CID:

85084556

Reduced:

O14C43H74 (1)

Stoich.:

A14B43C74 (1)

Weight, g/mol:

815.212686

ΔHf, kcal/mol:

-715.47

Dipole, Da:

11.87

IP(EA), eV:

 -9.36(0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-(2,3-diacetyloxypropoxycarbonyloxy)ethyl 7-[[2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)acetyl]amino]-3-[[methyl(piperazine-1-carboximidoyl)hydrazinylidene]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CC1C(CC2(CCC(O2)(C)C3CCC(O3)(C)C4C(C(C(O4)C5C(C(C(C(O5)(C)O)C)OC)C)OC)C)OC1C(C)C6C(C(C(C(O6)(CC(=O)O)O)C)OC)C)OC

DOS

IR

Vibrations