Geometry & MOs

Info

ID:	30997
PubChem CID:	854062
Reduced:	OSN2C12H14 (1)
Stoich.:	ABC2D12E14 (1)
Weight, g/mol:	220.067034
ΔH_f, kcal/mol:	-10.57
Dipole, Da:	3.53
IP(EA), eV:	-8.97(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-5-ethyl-3-phenyl-2-sulfanylideneimidazolidin-4-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations