Geometry & MOs

Info

ID:	189584
PubChem CID:	77876245
Reduced:	NCl2O9C21H23 (1)
Stoich.:	AB2C9D21E23 (1)
Weight, g/mol:	446.306596
ΔH_f, kcal/mol:	-363.02
Dipole, Da:	5.51
IP(EA), eV:	-8.96(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 7-[3,5-dihydroxy-2-(2-hydroxy-2-methylheptyl)sulfanylcyclopentyl]heptanoate

Drug info:

PubChemData

Smile

C1COCCN1CCC(=O)C=C(C2=CC(=C(C=C2)Cl)Cl)OC(=O)CC(CC(=O)O)(C(=O)O)O

DOS

IR

Vibrations