Geometry & MOs

Info

ID:	49614
PubChem CID:	11533361
Reduced:	SO2N5H27C28 (1)
Stoich.:	AB2C5D27E28 (1)
Weight, g/mol:	363.164165
ΔH_f, kcal/mol:	7.37
Dipole, Da:	2.4
IP(EA), eV:	-8.18(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC2(CCC1NC(=O)C3=C(C=CS3)NCC4=CC=NC5=CC=CC=C45)C(=O)NC6=CC=CC=C6N2

DOS

IR

Vibrations