Geometry & MOs

Info

ID:

133013

PubChem CID:

51461561

Reduced:

S2O6N9C16H17 (1)

Stoich.:

A2B6C9D16E17 (1)

Weight, g/mol:

393.08688

ΔHf, kcal/mol:

-13.95

Dipole, Da:

8.37

IP(EA), eV:

 -9.43(-1.54)

Spin(Sz, S2):

 None, None

Charge, e:

 -1

Chem-info

IUPAC name:

(6R,7R)-3-(acetyloxymethyl)-7-[(2-ethylpyrazole-3-carbonyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N[C@H]1[C@@H]2N(C1=O)C(=C(CS2)CSC3=NN=NN3C)C(=O)O)N4C=C(C=N4)[N+](=O)[O-]

DOS

IR

Vibrations