Geometry & MOs

Info

ID:

309202

PubChem CID:

126540138

Reduced:

FS2O4N7C21H22 (1)

Stoich.:

AB2C4D7E21F22 (1)

Weight, g/mol:

515.241821

ΔHf, kcal/mol:

-104.2

Dipole, Da:

13.47

IP(EA), eV:

 -9.04(-1.36)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

N-[2-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-2-oxoethyl]-1-methyl-2,3-dihydropyridin-1-ium-2-carboxamide

Drug info:

PubChemData

Smile

CC1N2C3=CC(=C(C=C3C(=O)C(=C2S1)C(=O)O)F)N4CCN(CC4)C(=O)C5=CSC(N5)N=C(N)N

DOS

IR

Vibrations