Geometry & MOs

Info

ID:	230368
PubChem CID:	87570732
Reduced:	NPO3C4H6 (1)
Stoich.:	ABC3D4E6 (1)
Weight, g/mol:	1304.503953
ΔH_f, kcal/mol:	-134.84
Dipole, Da:	1.4
IP(EA), eV:	-10.58(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3,5-bis(oxiran-2-ylmethoxy)-2-[3,5,7-tris[2,4,6-tris(oxiran-2-ylmethoxy)phenyl]-1-adamantyl]phenoxy]methyl]oxirane

Drug info:

PubChemData

Smile

C=C(CP(=O)=O)C(=O)N

DOS

IR

Vibrations