Geometry & MOs

Info

ID:	229975
PubChem CID:	87569763
Reduced:	SO9H24C25 (1)
Stoich.:	AB9C24D25 (1)
Weight, g/mol:	1016.419436
ΔH_f, kcal/mol:	-215.04
Dipole, Da:	5.67
IP(EA), eV:	-8.94(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)S(=O)(=O)O[C@@H]4COC[C@@H]4OOC(=O)O

DOS

IR

Vibrations