Geometry & MOs

Info

ID:	383349
PubChem CID:	134975023
Reduced:	ClNS2O3C21H32 (1)
Stoich.:	ABC2D3E21F32 (1)
Weight, g/mol:	219.084848
ΔH_f, kcal/mol:	-136.32
Dipole, Da:	5.96
IP(EA), eV:	-9.02(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-tert-butylsulfanyl-2-chlorocyclohexan-1-imine

Drug info:

PubChemData

Smile

CCOC(=S)SC(CCC1=CN=C(C=C1)Cl)CC(C)(C)C2OCC(CO2)(C)C

DOS

IR

Vibrations