Geometry & MOs

Info

ID:

176202

PubChem CID:

76008643

Reduced:

Cl2N3O7C32H35 (1)

Stoich.:

A2B3C7D32E35 (1)

Weight, g/mol:

760.243055

ΔHf, kcal/mol:

-156.85

Dipole, Da:

61.27

IP(EA), eV:

 -6.36(-2.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[7-[[4-[2-(3-acetylanilino)-2-oxoethyl]-1,4-diazoniabicyclo[2.2.2]octan-1-yl]methyl]-9-oxofluoren-3-yl]-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;dichloride

Drug info:

PubChemData

Smile

CC(C1C2CC(=C(N2C1=O)C(=O)O)C3=CC4=C(C=C3)C(=O)C5=C4C=CC(=C5)C[N+]67CC[N+](CC6)(CC7)CC(=O)OC)O.[Cl-].[Cl-]

DOS

IR

Vibrations