Geometry & MOs

Info

ID:

160065

PubChem CID:

57304567

Reduced:

NO10C12H23 (1)

Stoich.:

AB10C12D23 (1)

Weight, g/mol:

322.073576

ΔHf, kcal/mol:

-453.8

Dipole, Da:

3.78

IP(EA), eV:

 -10.04(0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5R,6S)-6-[(1R)-1-hydroxyethyl]-3-[2-(1-methyltriazol-4-yl)ethenyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

C1[C@]([C@H]([C@@H]([C@H](O1)CO)O)O)([C@]2([C@H]([C@@H]([C@H](O[C@@H]2O)CO)O)O)O)N

DOS

IR

Vibrations