Geometry & MOs

Info

ID:	399756
PubChem CID:	135042308
Reduced:	ClSH13C17 (1)
Stoich.:	ABC13D17 (1)
Weight, g/mol:	224.141244
ΔH_f, kcal/mol:	47.15
Dipole, Da:	0.65
IP(EA), eV:	-8.65(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1S)-1-hydroxyoctyl]-5-methylidenefuran-2-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)Cl)SC2=CC=CC3=CC=CC=C32

DOS

IR

Vibrations