Geometry & MOs

Info

ID:

448277

PubChem CID:

135289828

Reduced:

FON5C22H24 (1)

Stoich.:

ABC5D22E24 (1)

Weight, g/mol:

1104.251085

ΔHf, kcal/mol:

-4.83

Dipole, Da:

3.61

IP(EA), eV:

-8.79(-0.47)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

1-acetyloxyethyl (6R,7R)-3-(carbamoyloxymethyl)-7-[[(2Z)-2-(furan-2-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;[(2S,5R)-3,3-dimethyl-4,4,7-trioxo-4lambda6-thia-1-azabicyclo[3.2.0]heptane-2-carbonyl]oxymethyl (2S,5R,6R)-6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Drug info:

PubChemData

Smile

C1CN(CC2(C1C(=O)NCCC3=CC=C(C=C3)F)CC2)C4=NC=NC5=C4C=CN5

DOS

IR

Vibrations