Geometry & MOs

Info

ID:	218201
PubChem CID:	85089022
Reduced:	O3S4C19H34 (1)
Stoich.:	A3B4C19D34 (1)
Weight, g/mol:	438.142086
ΔH_f, kcal/mol:	-129.75
Dipole, Da:	3.59
IP(EA), eV:	-9.04(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-chloro-2-(3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl)oxyoctanoate

Drug info:

PubChemData

Smile

CCCCCC1C(CCCCC(C(O1)CC)OC(=S)SC)OC(=S)SC

DOS

IR

Vibrations