Geometry & MOs

Info

ID:

170435

PubChem CID:

75233063

Reduced:

ClSO2N7C24H26 (1)

Stoich.:

ABC2D7E24F26 (1)

Weight, g/mol:

582.087906

ΔHf, kcal/mol:

61.46

Dipole, Da:

4.54

IP(EA), eV:

 -8.8(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[[4-[(2-carboxy-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl)carbamoyl]benzoyl]amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)OC(=O)C(CS)N)Cl

DOS

IR

Vibrations