Geometry & MOs

Info

ID:

217983

PubChem CID:

85088690

Reduced:

NSO3H23C25 (1)

Stoich.:

ABC3D23E25 (1)

Weight, g/mol:

417.148905

ΔHf, kcal/mol:

-45.77

Dipole, Da:

1.37

IP(EA), eV:

 -8.47(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-(1-hydroxyethyl)-4-methyl-7-oxo-3-(5-pyrrolidin-3-ylpyrrolidin-3-yl)sulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;hydrochloride

Drug info:

PubChemData

Smile

C1CNCC=C1C2=CC=C(C=C2)C3C(SC4=C(O3)C=CC(=C4)O)C5=CC=C(C=C5)O

DOS

IR

Vibrations