Geometry & MOs

Info

ID:	60392
PubChem CID:	26683994
Reduced:	SN2O2C10H11 (2)
Stoich.:	AB2C2D10E11 (2)
Weight, g/mol:	234.082684
ΔH_f, kcal/mol:	-100.59
Dipole, Da:	10.14
IP(EA), eV:	-8.36(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CSCC[C@H](C(=O)NC1=CC2=C(C=C1)NC(=O)N2)NS(=O)(=O)/C=C/C3=CC=CC=C3

DOS

IR

Vibrations