Geometry & MOs

Info

ID:	219039
PubChem CID:	85090399
Reduced:	N3O3C14H14 (2)
Stoich.:	A3B3C14D14 (2)
Weight, g/mol:	542.228084
ΔH_f, kcal/mol:	-139.99
Dipole, Da:	6.99
IP(EA), eV:	-8.91(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl propyl [5,5,11,11-tetramethyl-8-(oxan-2-yloxy)-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-yl] phosphate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2C(=O)CCN(C2=O)C(C#N)C3CC(=O)N(C(=O)N3CC#N)CC4=CC=C(C=C4)OC

DOS

IR

Vibrations