Geometry & MOs

Info

ID:	259877
PubChem CID:	103176251
Reduced:	SO3C12H26 (1)
Stoich.:	AB3C12D26 (1)
Weight, g/mol:	290.191566
ΔH_f, kcal/mol:	-157.02
Dipole, Da:	3.16
IP(EA), eV:	-8.85(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[2-(3-methoxypropoxy)ethoxymethyl]cycloheptyl]methanethiol

Drug info:

PubChemData

Smile

CC(C)C(COCCOCCCOC)CS

DOS

IR

Vibrations