Geometry & MOs

Info

ID:

232413

PubChem CID:

87576143

Reduced:

ZnO14C26H46 (1)

Stoich.:

AB14C26D46 (1)

Weight, g/mol:

1234.309523

ΔHf, kcal/mol:

-678.5

Dipole, Da:

6.32

IP(EA), eV:

 -9.15(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-benzhydryl-7-[[(2E)-2-[5-chloro-2-(tritylamino)-1,3-thiazol-4-yl]-2-trityloxyiminoacetyl]amino]-8-oxo-3-[[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(COCCOC)OCC(C)OC(=O)CCC(=O)[O-].CC(COCCOC)OCC(C)OC(=O)CCC(=O)[O-].[Zn+2]

DOS

IR

Vibrations