Geometry & MOs

Info

ID:	146778
PubChem CID:	53748091
Reduced:	ClOH13C15 (1)
Stoich.:	ABC13D15 (1)
Weight, g/mol:	386.212695
ΔH_f, kcal/mol:	-17.92
Dipole, Da:	4.5
IP(EA), eV:	-9.24(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 7-[(1S,2R)-3-hydroxy-2-(2-hydroxyheptylsulfanyl)-5-oxocyclopentyl]hept-5-enoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C(C=CC(=C2)C)C(=O)Cl

DOS

IR

Vibrations