Geometry & MOs

Info

ID:	179169
PubChem CID:	76444921
Reduced:	OSCl3N3H6C10 (1)
Stoich.:	ABC3D3E6F10 (1)
Weight, g/mol:	352.224974
ΔH_f, kcal/mol:	15.52
Dipole, Da:	5.63
IP(EA), eV:	-9.43(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(3,5-dihydroxy-2-octylcyclopentyl)-5-oxohept-2-ynoic acid

Drug info:

PubChemData

Smile

C1=NC(=NC(=O)C1SC2=C(C=C(C=C2Cl)Cl)Cl)N

DOS

IR

Vibrations