Geometry & MOs

Info

ID:

328612

PubChem CID:

126725952

Reduced:

Br2F3N6O9C56H59 (1)

Stoich.:

A2B3C6D9E56F59 (1)

Weight, g/mol:

572.190714

ΔHf, kcal/mol:

-393.97

Dipole, Da:

4.17

IP(EA), eV:

 -8.86(-1.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[4-[2-(7-amino-9H-fluoren-2-yl)ethynyl]-6-[[bis(carboxymethyl)amino]methyl]pyridin-2-yl]methyl-(carboxymethyl)amino]acetic acid

Drug info:

PubChemData

Smile

CCCN(CC1=NC(=CC(=C1)C#CC2=CC3=C(C=C2)C4=C(C3(CC(=O)OCC)CC(=O)OCC)C=C(C=C4)NC(=O)C(F)(F)F)CN(CC5=CC(=CC(=N5)CC)Br)CC(=O)OCC)CC6=NC(=CC(=C6)Br)C(=O)OCC

DOS

IR

Vibrations