Geometry & MOs

Info

ID:

43703

PubChem CID:

10321670

Reduced:

N5O5C23H27 (1)

Stoich.:

A5B5C23D27 (1)

Weight, g/mol:

453.077676

ΔHf, kcal/mol:

-122.97

Dipole, Da:

9.01

IP(EA), eV:

 -8.85(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-5-yl)-2-methoxyiminoacetyl]amino]-8-oxo-3-[(2S)-oxolan-2-yl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OCCCNC2=CC=C(C=C2)C(=O)O)OC)CC3=CN=C(N=C3N)N

DOS

IR

Vibrations