Geometry & MOs

Info

ID:

221623

PubChem CID:

85285738

Reduced:

N2F3O4C31H41 (1)

Stoich.:

A2B3C4D31E41 (1)

Weight, g/mol:

562.166825

ΔHf, kcal/mol:

-356.16

Dipole, Da:

6.36

IP(EA), eV:

 -9.34(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

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-carboxylate

Drug info:

PubChemData

Smile

CCCCC(CC(CCC1=CC=C(C=C1)C2=CC=C(C=C2)C(F)(F)F)C(=O)NC(C(=O)NC)C(C)(C)C)C(=O)O

DOS

IR

Vibrations