Geometry & MOs

Info

ID:

147514

PubChem CID:

53787170

Reduced:

ClSO4H11C15 (1)

Stoich.:

ABC4D11E15 (1)

Weight, g/mol:

952.273141

ΔHf, kcal/mol:

-107.73

Dipole, Da:

4.79

IP(EA), eV:

 -8.84(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,5R,6R)-6-[[2-(carbamoylamino)-2-phenylacetyl]-[2-[[2-(carbamoylamino)-2-phenylacetyl]-[(2S,5R,6R)-2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]carbamoyl]oxycyclohexyl]oxycarbonylamino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C1=CC2=C(C=C1)OC3=C(S2=O)C=C(C=C3)Cl)C(=O)O

DOS

IR

Vibrations