Geometry & MOs

Info

ID:	181349
PubChem CID:	76732822
Reduced:	NS2O5C29H39 (1)
Stoich.:	AB2C5D29E39 (1)
Weight, g/mol:	473.25998
ΔH_f, kcal/mol:	-201.18
Dipole, Da:	5.05
IP(EA), eV:	-8.66(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-morpholin-4-ylethyl 7-[5-[(3,5-dimethylphenyl)sulfanylmethyl]-4-oxocyclopent-2-en-1-yl]heptanoate

Drug info:

PubChemData

Smile

CC(C)C1=CC(=CC=C1)SCC2C(CC(=O)C2CCCC3=CC=C(S3)C(=O)OCCN4CCOCC4)O

DOS

IR

Vibrations