Geometry & MOs

Info

ID:	179548
PubChem CID:	76496214
Reduced:	ClNSO6C16H20 (1)
Stoich.:	ABCD6E16F20 (1)
Weight, g/mol:	328.26136
ΔH_f, kcal/mol:	-243.64
Dipole, Da:	4.55
IP(EA), eV:	-9.81(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-hydroxy-5-(2-hydroxyoctan-2-yl)cyclopentyl]hexanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)C1=C(CSC2N1C(=O)C2Cl)COC(=O)CCC(=O)O

DOS

IR

Vibrations