Geometry & MOs

Info

ID:	180088
PubChem CID:	76575141
Reduced:	ClO4C24H33 (1)
Stoich.:	AB4C24D33 (1)
Weight, g/mol:	395.230788
ΔH_f, kcal/mol:	-180.74
Dipole, Da:	5.91
IP(EA), eV:	-9.45(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3,5-dihydroxy-2-(7-oxooctyl)cyclopentyl]-N-(furan-2-yl)-2-hydroxybutanamide

Drug info:

PubChemData

Smile

CC(=O)CCCCCCC1C(CC(C1CCC(C#CC2=CC=CC=C2Cl)O)O)O

DOS

IR

Vibrations