Geometry & MOs

Info

ID:	60396
PubChem CID:	26684094
Reduced:	OSN3C10H11 (1)
Stoich.:	ABC3D10E11 (1)
Weight, g/mol:	264.093249
ΔH_f, kcal/mol:	3.86
Dipole, Da:	5.16
IP(EA), eV:	-9.14(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-3-[2-(4-methoxyphenyl)ethyl]-5-methyl-2-sulfanylideneimidazolidin-4-one

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N(C(=S)N1)CC2=CN=CC=C2

DOS

IR

Vibrations