Geometry & MOs

Info

ID:	60394
PubChem CID:	26684028
Reduced:	SN2O3H10C11 (1)
Stoich.:	AB2C3D10E11 (1)
Weight, g/mol:	283.9619
ΔH_f, kcal/mol:	-63.3
Dipole, Da:	3.19
IP(EA), eV:	-8.76(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-3-(3-bromophenyl)-5-methyl-2-sulfanylideneimidazolidin-4-one

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N(C(=S)N1)C2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations