Geometry & MOs

Info

ID:	60406
PubChem CID:	26684475
Reduced:	S2N3O4C16H23 (1)
Stoich.:	A2B3C4D16E23 (1)
Weight, g/mol:	354.99901
ΔH_f, kcal/mol:	-139.87
Dipole, Da:	4.47
IP(EA), eV:	-9.05(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-2-methylphenyl)-2-[(4R)-4-methyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]acetamide

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)N2C(=O)[C@H](NC2=S)C)OCC

DOS

IR

Vibrations