Geometry & MOs

Info

ID:

220140

PubChem CID:

85165288

Reduced:

Si2O5C39H54 (1)

Stoich.:

A2B5C39D54 (1)

Weight, g/mol:

658.031193

ΔHf, kcal/mol:

-280.72

Dipole, Da:

4.97

IP(EA), eV:

 -8.86(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[[2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]amino]-3-[3-[2-[(2-azaniumylacetyl)amino]ethylsulfanylmethyl]pyridin-4-yl]sulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CC1(CCC(C(C1C=O)CO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)O[Si](C)(C)C(C)(C)C)COC(=O)C4=CC=CC=C4

DOS

IR

Vibrations