Geometry & MOs

Info

ID:	441360
PubChem CID:	135234330
Reduced:	OSN7C17H19 (1)
Stoich.:	ABC7D17E19 (1)
Weight, g/mol:	462.268964
ΔH_f, kcal/mol:	69.44
Dipole, Da:	4.08
IP(EA), eV:	-8.26(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NC=C(S1)C2=NC(=C(C=C2)N)NC(=O)N3CC4=CN(N=C4C3)C

DOS

IR

Vibrations