Geometry & MOs

Info

ID:	229051
PubChem CID:	87566847
Reduced:	NO2S3C8H9 (1)
Stoich.:	AB2C3D8E9 (1)
Weight, g/mol:	248.995192
ΔH_f, kcal/mol:	-54.26
Dipole, Da:	5.4
IP(EA), eV:	-9.23(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[pyridin-2-yl-bis(sulfanyl)-lambda4-sulfanyl]propanoic acid

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)SSSCCC(=O)O

DOS

IR

Vibrations