Geometry & MOs

Info

ID:

80163

PubChem CID:

49833330

Reduced:

S2O5N9C19H21 (1)

Stoich.:

A2B5C9D19E21 (1)

Weight, g/mol:

519.123283

ΔHf, kcal/mol:

2.74

Dipole, Da:

10.92

IP(EA), eV:

 -8.78(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NN2CCCC2=[N+]1CC3=C(N4[C@@H]([C@@H](C4=O)NC(=O)/C(=N\OC)/C5=NSC(=N5)N)SC3)C(=O)[O-]

DOS

IR

Vibrations