Geometry & MOs

Info

ID:	411674
PubChem CID:	135084508
Reduced:	SO3C10H14 (1)
Stoich.:	AB3C10D14 (1)
Weight, g/mol:	218.094294
ΔH_f, kcal/mol:	-54.92
Dipole, Da:	2.79
IP(EA), eV:	-8.85(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-5-hydroxy-6-phenylmethoxyhex-2-ynal

Drug info:

PubChemData

Smile

CCOC(=O)C#CCCS(=O)CC=C

DOS

IR

Vibrations