Geometry & MOs

Info

ID:	179488
PubChem CID:	76490243
Reduced:	ClSN3O5C21H28 (1)
Stoich.:	ABC3D5E21F28 (1)
Weight, g/mol:	374.209324
ΔH_f, kcal/mol:	-161.49
Dipole, Da:	2.64
IP(EA), eV:	-8.76(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-2-[2-(3-oxooct-1-enyl)-3-phenylmethoxycyclopentyl]acetic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1C(O1)C(=O)NC(CCSC)C(=O)N2CCN(CC2)C3=CC=CC=C3Cl

DOS

IR

Vibrations