Geometry & MOs

Info

ID:	441350
PubChem CID:	135234249
Reduced:	FON6C19H19 (1)
Stoich.:	ABC6D19E19 (1)
Weight, g/mol:	482.168264
ΔH_f, kcal/mol:	16.11
Dipole, Da:	10.74
IP(EA), eV:	-8.77(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC2=C(N1C)CN(C2)C(=O)NC3=C(C=CC(=N3)C4=CC=C(C=C4)F)N

DOS

IR

Vibrations