Geometry & MOs

Info

ID:	60407
PubChem CID:	26684477
Reduced:	BrSO2N3C13H14 (1)
Stoich.:	ABC2D3E13F14 (1)
Weight, g/mol:	286.058755
ΔH_f, kcal/mol:	-51.56
Dipole, Da:	8.02
IP(EA), eV:	-8.85(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-3-[[4-(difluoromethoxy)phenyl]methyl]-5-methyl-2-sulfanylideneimidazolidin-4-one

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N(C(=S)N1)CC(=O)NC2=C(C=C(C=C2)Br)C

DOS

IR

Vibrations