Geometry & MOs

Info

ID:	406631
PubChem CID:	135078227
Reduced:	O10F17C38H43 (1)
Stoich.:	A10B17C38D43 (1)
Weight, g/mol:	196.169281
ΔH_f, kcal/mol:	-1270.69
Dipole, Da:	4.2
IP(EA), eV:	-9.98(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC(=O)CCC(=O)OC1C(C(OC(C1OC(=O)C(C)(C)C)OC/C=C\COCCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CO)OCC2=CC=CC=C2

DOS

IR

Vibrations