Geometry & MOs

Info

ID:

183010

PubChem CID:

76968578

Reduced:

KSN2O6H25C26 (1)

Stoich.:

ABC2D6E25F26 (1)

Weight, g/mol:

532.107039

ΔHf, kcal/mol:

-223.36

Dipole, Da:

23.8

IP(EA), eV:

 -7.84(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

potassium;(2S,5R,6R)-6-[[(2R)-3-(2,3-dihydro-1H-inden-5-yloxy)-3-oxo-2-phenylpropanoyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Drug info:

PubChemData

Smile

CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@H](C3=CC=CC=C3)C(=O)OC4=CC5=C(CCC5)C=C4)C(=O)[O-])C.[K+]

DOS

IR

Vibrations