Geometry & MOs

Info

ID:

150782

PubChem CID:

53790478

Reduced:

FN2O7C39H49 (1)

Stoich.:

AB2C7D39E49 (1)

Weight, g/mol:

274.044585

ΔHf, kcal/mol:

-299.01

Dipole, Da:

6.97

IP(EA), eV:

 -8.78(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5S)-6-(2-aminoethyl)-6-(1-hydroxyethyl)-7-sulfanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCC(CCC)N(C1=CC(=C(C=C1)F)C)C(=O)CN2C[C@@H](C([C@@H]2CCCC3=CC=CC=C3OC)C(=O)O)C4=CC5=C(C(=C4)OC)OCO5

DOS

IR

Vibrations