Geometry & MOs

Info

ID:	314287
PubChem CID:	126621154
Reduced:	NCl2O2F3H10C11 (1)
Stoich.:	AB2C2D3E10F11 (1)
Weight, g/mol:	158.112922
ΔH_f, kcal/mol:	-233.62
Dipole, Da:	1.89
IP(EA), eV:	-9.14(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-propan-2-ylhex-4-ene-1-thiol

Drug info:

PubChemData

Smile

C1[C@H](O[C@@H](N1C2=CC(=C(C=C2)Cl)Cl)C(F)(F)F)CO

DOS

IR

Vibrations