Geometry & MOs

Info

ID:	148193
PubChem CID:	53787855
Reduced:	N2S2O5C6H8 (1)
Stoich.:	A2B2C5D6E8 (1)
Weight, g/mol:	356.256274
ΔH_f, kcal/mol:	-167.43
Dipole, Da:	7.88
IP(EA), eV:	-9.6(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(1R,2R,3R,5R)-3,5-dihydroxy-2-(3-hydroxyoct-1-enyl)cyclopentyl]heptanoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)S(=O)(=O)NS(=O)(=O)N)O

DOS

IR

Vibrations