Geometry & MOs

Info

ID:	28724
PubChem CID:	829178
Reduced:	ClOSN3H12C13 (1)
Stoich.:	ABCD3E12F13 (1)
Weight, g/mol:	230.090272
ΔH_f, kcal/mol:	50.19
Dipole, Da:	5.57
IP(EA), eV:	-8.77(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4R,5R)-5-acetyloxy-1,3-dimethyl-2-oxoimidazolidin-4-yl] acetate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C=NNC(=S)NCC2=CC=CO2)Cl

DOS

IR

Vibrations