Geometry & MOs

Info

ID:

147262

PubChem CID:

53786917

Reduced:

SF3O5H15C22 (1)

Stoich.:

AB3C5D15E22 (1)

Weight, g/mol:

562.116521

ΔHf, kcal/mol:

-262.84

Dipole, Da:

3.11

IP(EA), eV:

 -9.81(-1.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6S)-7-[[2-(diaminomethylidenecarbamoylamino)-2-(3-hydroxyphenyl)acetyl]amino]-8-oxo-3-[1-(tetrazol-1-ylsulfanyl)ethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)OS(=O)(=O)C(F)(F)F

DOS

IR

Vibrations