Geometry & MOs

Info

ID:	151260
PubChem CID:	53790960
Reduced:	O3N4C25H34 (1)
Stoich.:	A3B4C25D34 (1)
Weight, g/mol:	220.030649
ΔH_f, kcal/mol:	-27.95
Dipole, Da:	2.54
IP(EA), eV:	-8.24(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-hydroxy-2-oxo-1,3-thiazolidin-3-yl)benzonitrile

Drug info:

PubChemData

Smile

CCCCOC(CN1CCN(CC1)C2=CC=CC=N2)CN3C(=C4[C@@H]5CC(C4=C3O)C=C5)O

DOS

IR

Vibrations