Geometry & MOs

Info

ID:

379737

PubChem CID:

134463060

Reduced:

ClON2H17C21 (1)

Stoich.:

ABC2D17E21 (1)

Weight, g/mol:

1403.615129

ΔHf, kcal/mol:

32.41

Dipole, Da:

2.89

IP(EA), eV:

-9.47(-0.65)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

2-[2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]ethyl-[2-[2-[2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]ethyl-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl]amino]ethyl-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl]amino]ethyl]amino]acetic acid

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C(=O)N1CC3=CC=CC=N3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations