Geometry & MOs

Info

ID:

189626

PubChem CID:

77882718

Reduced:

S2F3N5O6H20C21 (1)

Stoich.:

A2B3C5D6E20F21 (1)

Weight, g/mol:

460.022192

ΔHf, kcal/mol:

-307.59

Dipole, Da:

6.45

IP(EA), eV:

 -9.3(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[acetyloxy(methoxy)methyl]-8-oxo-7-[[2-(trifluoromethylsulfinyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

C1C(=C(N2C(S1)C(C2=O)NCC(C3=CC(=CC=C3)C(F)(F)F)O)C(=O)O)CSC4=NNC(=N4)CC(=O)O

DOS

IR

Vibrations