Geometry & MOs

Info

ID:

388927

PubChem CID:

134990627

Reduced:

SO3N4C21H24 (1)

Stoich.:

AB3C4D21E24 (1)

Weight, g/mol:

539.136236

ΔHf, kcal/mol:

-21.25

Dipole, Da:

3.41

IP(EA), eV:

 -8.82(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C[C@H](C(=O)N=[N+]=[N-])NC(=O)CCSCC2=CC=CC=C2

DOS

IR

Vibrations