Geometry & MOs

Info

ID:	229834
PubChem CID:	87569326
Reduced:	OSCl2N4C12H14 (1)
Stoich.:	ABC2D4E12F14 (1)
Weight, g/mol:	428.219889
ΔH_f, kcal/mol:	-25.76
Dipole, Da:	1.9
IP(EA), eV:	-8.84(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(1-adamantyl)-4,6-bis(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane

Drug info:

PubChemData

Smile

C1CN(CCN1C(=S)N)C(=O)NC2=C(C=CC(=C2)Cl)Cl

DOS

IR

Vibrations