Geometry & MOs

Info

ID:	219596
PubChem CID:	85149401
Reduced:	N2O2C34H49 (1)
Stoich.:	A2B2C34D49 (1)
Weight, g/mol:	602.224062
ΔH_f, kcal/mol:	-79.05
Dipole, Da:	2.21
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.841999
Charge, e:	0

Chem-info

IUPAC name:

[5-(2,4-dioxo-1,3-diazinan-1-yl)oxolan-2-yl]methyl [2-(1,4,7,10,13-pentaoxacyclopentadec-2-ylmethyl)phenyl] hydrogen phosphate

Drug info:

PubChemData

Smile

CCCCCCCCC=CCCCCCCCCOC(=O)C1=C[N+](=CC=C1)CCC2=CNC3=CC=CC=C32

DOS

IR

Vibrations