Geometry & MOs

Info

ID:

47419

PubChem CID:

10532496

Reduced:

N2F5H9C17 (2)

Stoich.:

A2B5C9D17 (2)

Weight, g/mol:

545.304689

ΔHf, kcal/mol:

-217.94

Dipole, Da:

6.25

IP(EA), eV:

 -8.04(-1.69)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

(4-methoxyphenyl)methyl (4S,5R,6S)-3-[(5R)-2,2-dimethyl-1,2-oxazolidin-2-ium-5-yl]-4-methyl-7-oxo-6-[(1R)-1-triethylsilyloxyethyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CC1(CC2=NC1=CC3=CC=C(N3)C(=C4C=CC(=N4)C(=C5C=CC(=C2)N5)C6=C(C(=C(C(=C6F)F)F)F)F)C7=C(C(=C(C(=C7F)F)F)F)F)C

DOS

IR

Vibrations