Geometry & MOs

Info

ID:

179532

PubChem CID:

76494598

Reduced:

OF2N4C10H10 (1)

Stoich.:

AB2C4D10E10 (1)

Weight, g/mol:

591.041307

ΔHf, kcal/mol:

-42.87

Dipole, Da:

5.95

IP(EA), eV:

 -9.93(-1.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(7-carboxy-[1,2,4]triazolo[4,3-a]pyrimidin-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=NC(=O)C2C(=N1)N(C=N2)CCCC=C(F)F

DOS

IR

Vibrations