Geometry & MOs

Info

ID:

177008

PubChem CID:

76124517

Reduced:

N4O12C45H68 (1)

Stoich.:

A4B12C45D68 (1)

Weight, g/mol:

456.052189

ΔHf, kcal/mol:

-575.22

Dipole, Da:

8.13

IP(EA), eV:

 -9.58(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(C(=O)NC(COC(C)(C)C)C(=O)NC(COC(C)(C)C)C(=O)NC(CC(C(=O)O)C(C)(C)C)C(=O)OC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)OC(C)(C)C

DOS

IR

Vibrations