Geometry & MOs

Info

ID:	188346
PubChem CID:	77702410
Reduced:	NO2C11H13 (1)
Stoich.:	AB2C11D13 (1)
Weight, g/mol:	564.312075
ΔH_f, kcal/mol:	-64.16
Dipole, Da:	4.12
IP(EA), eV:	-9.79(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hexoxyethyl 4-[2-[3-hydroxy-2-[3-hydroxy-4-[3-(methoxymethyl)phenyl]but-1-enyl]-5-oxocyclopentyl]ethylsulfanyl]butanoate

Drug info:

PubChemData

Smile

CC1C(=O)NCC(O1)C2=CC=CC=C2

DOS

IR

Vibrations