Geometry & MOs

Info

ID:

44627

PubChem CID:

10504534

Reduced:

NO2C31H51 (1)

Stoich.:

AB2C31D51 (1)

Weight, g/mol:

469.071049

ΔHf, kcal/mol:

-163.42

Dipole, Da:

3.37

IP(EA), eV:

 -9.0(1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6R,7R)-3-(acetyloxymethyl)-7-[[2-[(3-chlorophenyl)methoxyamino]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

C[C@]12CC[C@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)OC)C)C)(C)C)N

DOS

IR

Vibrations