Geometry & MOs

Info

ID:

176902

PubChem CID:

76108501

Reduced:

NSiO5C49H98 (1)

Stoich.:

ABC5D49E98 (1)

Weight, g/mol:

439.050792

ΔHf, kcal/mol:

-492.18

Dipole, Da:

5.06

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.755722

Charge, e:

 0

Chem-info

IUPAC name:

3-(acetyloxymethyl)-7-[(2-methoxyimino-2-thiophen-2-ylacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC[N+]1(C(=O)CCC(=O)C1(CC)[Si](OCC)(OCC)OCC)CCCCCCCCCCCCCCCCCC

DOS

IR

Vibrations