Geometry & MOs

Info

ID:	147066
PubChem CID:	53786653
Reduced:	NO11C14H25 (1)
Stoich.:	AB11C14D25 (1)
Weight, g/mol:	224.025563
ΔH_f, kcal/mol:	-481.94
Dipole, Da:	2.51
IP(EA), eV:	-10.2(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-nitrophenyl)-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

C[C@H]([C@H]([C@@H]([C@H](C(=O)CC(=O)[C@@]([C@H](C=O)N)([C@H]([C@@H](CO)O)O)O)O)O)O)O

DOS

IR

Vibrations