Geometry & MOs

Info

ID:	226366
PubChem CID:	87350897
Reduced:	O3C6H10 (1)
Stoich.:	A3B6C10 (1)
Weight, g/mol:	400.264731
ΔH_f, kcal/mol:	-64.13
Dipole, Da:	3.26
IP(EA), eV:	-10.27(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dodecane-1-thiol;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate

Drug info:

PubChemData

Smile

CC/C(=C/C)/C(=O)OO

DOS

IR

Vibrations