Geometry & MOs

Info

ID:	204821
PubChem CID:	80013607
Reduced:	NSC19H35 (1)
Stoich.:	ABC19D35 (1)
Weight, g/mol:	294.201737
ΔH_f, kcal/mol:	-48.88
Dipole, Da:	2.35
IP(EA), eV:	-8.18(0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2,6-di(propan-2-yl)phenoxy]hexane-1-thiol

Drug info:

PubChemData

Smile

C1CCC(CC1)N(CC2(CCCC2)CS)C3CCCCC3

DOS

IR

Vibrations