Geometry & MOs

Info

ID:

388799

PubChem CID:

134990254

Reduced:

N8O9C23H28 (1)

Stoich.:

A8B9C23D28 (1)

Weight, g/mol:

503.033618

ΔHf, kcal/mol:

-310.37

Dipole, Da:

10.03

IP(EA), eV:

 -9.24(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6R,7R)-7-[[(2Z)-2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetyl]amino]-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

C1CC(=O)N[C@@H]1C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N=[N+]=[N-]

DOS

IR

Vibrations