Geometry & MOs

Info

ID:	44856
PubChem CID:	10506197
Reduced:	IOSi2C24H35 (1)
Stoich.:	ABC2D24E35 (1)
Weight, g/mol:	522.241551
ΔH_f, kcal/mol:	1.61
Dipole, Da:	3.07
IP(EA), eV:	-8.65(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[bis(1-adamantyl)methyl]thiophen-3-yl]oxyethyl 2,2,2-trifluoroacetate

Drug info:

PubChemData

Smile

C/C(=C/[C@@H]([C@@H](C#C[Si](C)(C)C)[Si](C)(C)C(C)(C)C)O)/C#CC1=CC=CC=C1I

DOS

IR

Vibrations