Geometry & MOs

Info

ID:	60399
PubChem CID:	26684326
Reduced:	OSN2C13H16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	248.098334
ΔH_f, kcal/mol:	-22.24
Dipole, Da:	2.75
IP(EA), eV:	-9.03(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-5-methyl-3-[(1R)-1-(2-methylphenyl)ethyl]-2-sulfanylideneimidazolidin-4-one

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N(C(=S)N1)[C@@H](C)C2=CC=CC=C2C

DOS

IR

Vibrations