Geometry & MOs

Info

ID:	221693
PubChem CID:	85285988
Reduced:	ClN3O6C32H38 (1)
Stoich.:	AB3C6D32E38 (1)
Weight, g/mol:	596.378515
ΔH_f, kcal/mol:	16.0
Dipole, Da:	4.91
IP(EA), eV:	-7.88(-2.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[5-(2-methoxy-2-oxoethyl)-1,4-bis[2-(octylamino)-2-oxoethyl]-3,6-dioxopiperazin-2-yl]acetate

Drug info:

PubChemData

Smile

CCN(CC)C(=CC=CC(=NC(=[N+](C)C)C1=CC=CC=C1)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC.[O-]Cl(=O)(=O)=O

DOS

IR

Vibrations