Geometry & MOs

Info

ID:	146092
PubChem CID:	53634356
Reduced:	ClNO2S2H8C11 (1)
Stoich.:	ABC2D2E8F11 (1)
Weight, g/mol:	416.3266
ΔH_f, kcal/mol:	23.52
Dipole, Da:	4.58
IP(EA), eV:	-9.14(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclohexyl-4-(5,5,5-trifluoro-4-octoxypent-1-enyl)cyclohexane

Drug info:

PubChemData

Smile

C1=CSC(=C1)CON=C(C2=CC=CS2)C(=O)Cl

DOS

IR

Vibrations