Geometry & MOs

Info

ID:	216214
PubChem CID:	85085899
Reduced:	O4C13H22 (1)
Stoich.:	A4B13C22 (1)
Weight, g/mol:	242.134051
ΔH_f, kcal/mol:	-201.93
Dipole, Da:	0.69
IP(EA), eV:	-10.58(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-tert-butyl 2-(1-hydroxyprop-2-ynyl)hexanethioate

Drug info:

PubChemData

Smile

CCOC(=O)C=CCCC(C)(C)C(=O)OCC

DOS

IR

Vibrations