Geometry & MOs

Info

ID:

176201

PubChem CID:

76008580

Reduced:

SO2N5C29H37 (1)

Stoich.:

AB2C5D29E37 (1)

Weight, g/mol:

643.185206

ΔHf, kcal/mol:

-33.94

Dipole, Da:

4.18

IP(EA), eV:

 -7.99(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)S(=O)(=O)NC(C)CNC2=C3C=NN(C3=CC(=C2)C)C4=CC=CC(=C4)NC(C)C)C

DOS

IR

Vibrations