Geometry & MOs

Info

ID:	60410
PubChem CID:	26684480
Reduced:	SN2O2C13H16 (1)
Stoich.:	AB2C2D13E16 (1)
Weight, g/mol:	390.087198
ΔH_f, kcal/mol:	-54.52
Dipole, Da:	3.59
IP(EA), eV:	-8.83(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-3-[[4-(4-fluorophenoxy)phenyl]methyl]-5-(2-methylsulfanylethyl)-2-sulfanylideneimidazolidin-4-one

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N(C(=S)N1)CCOC2=CC=CC(=C2)C

DOS

IR

Vibrations