Geometry & MOs

Info

ID:

222076

PubChem CID:

85293798

Reduced:

NOC17H30 (2)

Stoich.:

ABC17D30 (2)

Weight, g/mol:

530.102882

ΔHf, kcal/mol:

-89.94

Dipole, Da:

1.18

IP(EA), eV:

 -8.61(1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

7-[[2-(5-amino-1,2,4-thiadiazol-3-yl)-2-ethoxyiminoacetyl]amino]-3-(1H-imidazo[4,5-b]pyridin-4-ium-4-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1(CCCC(N1OC2CCCCC(C=C2)C3CCCCC=CC3ON4C(CCCC4(C)C)(C)C)(C)C)C

DOS

IR

Vibrations