Geometry & MOs

Info

ID:	238724
PubChem CID:	92765212
Reduced:	ON2C13H13 (2)
Stoich.:	AB2C13D13 (2)
Weight, g/mol:	421.133259
ΔH_f, kcal/mol:	33.82
Dipole, Da:	5.67
IP(EA), eV:	-8.32(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetyl]amino]pentanedioic acid

Drug info:

PubChemData

Smile

CN1CCN(CC1)[C@@H](C2=CN=CC=C2)C3=C(C4=CC=CC=C4O3)NC(=O)C5=CC=CC=C5

DOS

IR

Vibrations