Geometry & MOs

Info

ID:

168566

PubChem CID:

74989513

Reduced:

ClS3O6N8C16H17 (1)

Stoich.:

AB3C6D8E16F17 (1)

Weight, g/mol:

509.035828

ΔHf, kcal/mol:

-114.61

Dipole, Da:

7.74

IP(EA), eV:

 -9.25(-1.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[[2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]amino]-3-(2,6-diaminopyrimidin-4-yl)sulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

C1C(NC(NC1=O)N)SC2=C(N3C(C(C3=O)NC(=O)C(=NO)C4=C(SC(=N4)N)Cl)SC2)C(=O)O

DOS

IR

Vibrations