Geometry & MOs

Info

ID:	84037
PubChem CID:	49863606
Reduced:	OSN3C13H15 (1)
Stoich.:	ABC3D13E15 (1)
Weight, g/mol:	214.102751
ΔH_f, kcal/mol:	36.62
Dipole, Da:	2.41
IP(EA), eV:	-8.42(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-5-hydroxy-2,4-dimethyl-2-(3-methylbutyl)thiophen-3-one

Drug info:

PubChemData

Smile

CC(=NNC1=NC(=CS1)C2=CC(=CC=C2)OC)C

DOS

IR

Vibrations