Geometry & MOs

Info

ID:

221624

PubChem CID:

85285739

Reduced:

SN3O3C12H15 (2)

Stoich.:

AB3C3D12E15 (2)

Weight, g/mol:

563.17465

ΔHf, kcal/mol:

-94.37

Dipole, Da:

15.4

IP(EA), eV:

 -8.53(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

8-[[2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methoxyiminoacetyl]amino]-4-[3-(3-hydroxy-8-methyl-8-azoniabicyclo[3.2.1]octan-8-yl)prop-1-enyl]-7-oxo-2-thiabicyclo[4.2.0]oct-4-ene-5-carboxylic acid

Drug info:

PubChemData

Smile

C[N+]1(C2CCC1CC(C2)O)CC=CC3=C(C4C(C(C4=O)NC(=O)C(=NOC)C5=NSC(=N5)N)SC3)C(=O)[O-]

DOS

IR

Vibrations