Geometry & MOs

Info

ID:	24081
PubChem CID:	607768
Reduced:	SN2O5C10H10 (1)
Stoich.:	AB2C5D10E10 (1)
Weight, g/mol:	270.031043
ΔH_f, kcal/mol:	-114.24
Dipole, Da:	4.09
IP(EA), eV:	-9.89(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-hydroxy-3-nitrophenyl)-1,3-thiazolidine-5-carboxylic acid

Drug info:

PubChemData

Smile

C1C(SC(N1)C2=CC(=C(C=C2)O)[N+](=O)[O-])C(=O)O

DOS

IR

Vibrations