Geometry & MOs

Info

ID:	191742
PubChem CID:	78183145
Reduced:	N5O6C22H38 (1)
Stoich.:	A5B6C22D38 (1)
Weight, g/mol:	578.18394
ΔH_f, kcal/mol:	-251.55
Dipole, Da:	7.25
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.791813
Charge, e:	1

Chem-info

IUPAC name:

imino-[2-(12-iodododecanoyloxymethyl)-5-(5-methyl-2,4-dioxo-1,3-diazinan-1-yl)oxolan-3-yl]iminoazanium

Drug info:

PubChemData

Smile

CC1CN(C(=O)NC1=O)C2CC(C(O2)COC(=O)CCCCCCCCCCCN=[N+]=N)O

DOS

IR

Vibrations