Geometry & MOs

Info

ID:

220667

PubChem CID:

85201804

Reduced:

N4O5C31H42 (1)

Stoich.:

A4B5C31D42 (1)

Weight, g/mol:

552.059383

ΔHf, kcal/mol:

-188.19

Dipole, Da:

7.19

IP(EA), eV:

 -8.52(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

7-[[2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)acetyl]amino]-3-[2-(1-methylpyridin-1-ium-3-yl)sulfanylethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CNCCCCC(C(=O)NCC(=O)O)NC(=O)C2=CC=C(C=C2)C#N

DOS

IR

Vibrations