Geometry & MOs

Info

ID:

186290

PubChem CID:

77414352

Reduced:

N2S2Cl3O8C37H45 (1)

Stoich.:

A2B2C3D8E37F45 (1)

Weight, g/mol:

489.992376

ΔHf, kcal/mol:

-255.1

Dipole, Da:

7.53

IP(EA), eV:

 -8.26(-1.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1,1,2-trichloroethyl 3-methyl-4-methylidene-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CCCCCCCCS(=O)C(C)CC1=CC2=C(C=C1)OCO2.CC1=C(N2C(C(C2=O)NC(=O)COC3=CC=CC=C3)SC1=C)C(=O)OC(CCl)(Cl)Cl

DOS

IR

Vibrations