Geometry & MOs

Info

ID:	30981
PubChem CID:	854031
Reduced:	NO2C11H15 (1)
Stoich.:	AB2C11D15 (1)
Weight, g/mol:	236.061949
ΔH_f, kcal/mol:	-56.27
Dipole, Da:	1.77
IP(EA), eV:	-8.62(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](CC1=CC2=C(C=C1)OCO2)NC

DOS

IR

Vibrations