Geometry & MOs

Info

ID:

32265

PubChem CID:

6436242

Reduced:

N7O27C75H117 (1)

Stoich.:

A7B27C75D117 (1)

Weight, g/mol:

286.013656

ΔHf, kcal/mol:

-1228.68

Dipole, Da:

10.88

IP(EA), eV:

 -8.35(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

sodium;(5R,6E)-6-[(1-methyltriazol-4-yl)methylidene]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O[C@@H]\2C[C@H]3[C@@H]([C@H](C[C@](O3)(C[C@H](C[C@H](C[C@H](C[C@H](CC(=O)C[C@H](CC(=O)OC(C(/C=C/C=C/C=C\C=C/C=C/C=C/C=C2)C)[C@@H](C)CCC(CC(=O)C4=CC=C(C=C4)NC)O)O)O)O)O)O)O)O)C(=O)NCCN(C)C)O)NC(=O)CN(C)C)O.C([C@@H](C(=O)O)N)C(=O)O.C([C@@H](C(=O)O)N)C(=O)O

DOS

IR

Vibrations