Geometry & MOs

Info

ID:	26878
PubChem CID:	801224
Reduced:	ClFOSN2C11H12 (1)
Stoich.:	ABCDE2F11G12 (1)
Weight, g/mol:	288.129634
ΔH_f, kcal/mol:	-80.08
Dipole, Da:	5.49
IP(EA), eV:	-9.0(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-5-benzyl-3-cyclohexyl-2-sulfanylideneimidazolidin-4-one

Drug info:

PubChemData

Smile

CC(C)C(=O)NC(=S)NC1=CC(=C(C=C1)F)Cl

DOS

IR

Vibrations