Geometry & MOs

Info

ID:	438632
PubChem CID:	135228376
Reduced:	N5O6C33H51 (1)
Stoich.:	A5B6C33D51 (1)
Weight, g/mol:	556.369681
ΔH_f, kcal/mol:	-308.79
Dipole, Da:	4.56
IP(EA), eV:	-8.4(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[2-[4,7,10-tris[2-(methylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]hexanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CCCNC(=O)N)C(=O)OC3CCCCCCCCCC3

DOS

IR

Vibrations