Geometry & MOs

Info

ID:

308255

PubChem CID:

125324808

Reduced:

O2N5C18H25 (1)

Stoich.:

A2B5C18D25 (1)

Weight, g/mol:

594.040973

ΔHf, kcal/mol:

-21.85

Dipole, Da:

2.7

IP(EA), eV:

 -9.16(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6S,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(E)-2-[[(3R)-5,6-dioxo-4-(2-oxoethyl)-3H-1,2,4-triazin-3-yl]sulfanyl]ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCC(=O)N[C@@H]1CC(=NN1C2=NC(=O)[C@H]3CCCCC3=N2)C4CC4

DOS

IR

Vibrations