Geometry & MOs

Info

ID:

147272

PubChem CID:

53786927

Reduced:

SN2O3C22H24 (1)

Stoich.:

AB2C3D22E24 (1)

Weight, g/mol:

499.103593

ΔHf, kcal/mol:

-41.86

Dipole, Da:

6.36

IP(EA), eV:

 -8.75(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

(6S)-7-[[2-(5-amino-1,2-oxazol-3-yl)-2-methoxyiminoacetyl]amino]-3-(furo[3,2-c]pyridin-5-ium-5-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C2CCN(CC3=C(OC(=C23)C=C1)CNS(=O)(=O)C=CC4=CC=CC=C4)C

DOS

IR

Vibrations