Geometry & MOs

Info

ID:

214517

PubChem CID:

85083145

Reduced:

N2F3O4C30H35 (1)

Stoich.:

A2B3C4D30E35 (1)

Weight, g/mol:

544.119875

ΔHf, kcal/mol:

-258.67

Dipole, Da:

5.58

IP(EA), eV:

 -9.3(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[[2-(2-amino-1,3-thiazol-4-yl)-2-cyclopentyloxyiminoacetyl]amino]-8-oxo-3-(pyridin-4-ylsulfanylmethyl)-4-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CCNC(=O)ON=CC1=CC=C(C=C1)C2CC3(C(CCC3(C(F)(F)F)OC)C4C2=C5CCC(=O)C=C5CC4)C

DOS

IR

Vibrations