Geometry & MOs

Info

ID:

215155

PubChem CID:

85084280

Reduced:

O10C41H78 (1)

Stoich.:

A10B41C78 (1)

Weight, g/mol:

731.120328

ΔHf, kcal/mol:

-569.36

Dipole, Da:

2.01

IP(EA), eV:

 -9.44(0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[[2-(2-amino-1,3-thiazol-4-yl)-2-(2-carboxypropan-2-yloxyimino)acetyl]amino]-3-[3-(3,4-diacetyloxybenzoyl)oxyprop-1-enyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCC(C1CCC(O1)C2CCC(O2)C(CCCCCCCCCCC(CCC(=O)OC)OCOC)OCOC)OCOC

DOS

IR

Vibrations