Geometry & MOs

Info

ID:

176695

PubChem CID:

76083956

Reduced:

NO4C13H21 (1)

Stoich.:

AB4C13D21 (1)

Weight, g/mol:

587.049764

ΔHf, kcal/mol:

-152.64

Dipole, Da:

4.72

IP(EA), eV:

 -10.2(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[[2-(2-amino-1,3-thiazol-4-yl)-2-(methylsulfanylmethoxyimino)acetyl]amino]-3-[[1-(2-hydroxyethyl)tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)C(=NOC1CCCC(C1)C)C(=O)C

DOS

IR

Vibrations