Geometry & MOs

Info

ID:	383539
PubChem CID:	134975324
Reduced:	ClSH19C20 (1)
Stoich.:	ABC19D20 (1)
Weight, g/mol:	184.109944
ΔH_f, kcal/mol:	60.99
Dipole, Da:	3.5
IP(EA), eV:	-8.32(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,8Z)-7-hydroxy-2-methyl-2,3,4,5,6,7-hexahydrooxecin-10-one

Drug info:

PubChemData

Smile

CC(=C(/C=C/C=C/C1=CC=CC=C1)SC2=CC=C(C=C2)Cl)C

DOS

IR

Vibrations