Geometry & MOs

Info

ID:	37649
PubChem CID:	8022823
Reduced:	SN2O5C21H22 (1)
Stoich.:	AB2C5D21E22 (1)
Weight, g/mol:	291.080339
ΔH_f, kcal/mol:	-137.97
Dipole, Da:	3.18
IP(EA), eV:	-8.54(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-[(4S)-5-oxo-1-phenyl-3-propan-2-yl-2-sulfanylideneimidazolidin-4-yl]acetate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CCN2[C@@H](C(=O)N(C2=S)C3=CC=CC=C3)CC(=O)O)OC

DOS

IR

Vibrations