Geometry & MOs

Info

ID:

176854

PubChem CID:

76105557

Reduced:

OC16H28 (2)

Stoich.:

AB16C28 (2)

Weight, g/mol:

550.081478

ΔHf, kcal/mol:

-153.79

Dipole, Da:

1.68

IP(EA), eV:

 -9.87(2.08)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

7-[[2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(carboxymethoxyimino)acetyl]amino]-3-[[3-(hydroxymethyl)pyridin-1-ium-1-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1C(C2(C3CCC(C3(CCC2C4(C1(CC(C5C4O5)O)C)C)C)C(C)CCCC(C)(C)C)C)C

DOS

IR

Vibrations