Geometry & MOs

Info

ID:	220912
PubChem CID:	85240397
Reduced:	SO2C17H20 (1)
Stoich.:	AB2C17D20 (1)
Weight, g/mol:	288.23006
ΔH_f, kcal/mol:	-40.35
Dipole, Da:	2.76
IP(EA), eV:	-8.77(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5,7-dihydroxy-4,6,8,8-tetramethylnonan-3-yl) propanoate

Drug info:

PubChemData

Smile

CC(=CC(OC)OC)CSC1=CC2=CC=CC=C2C=C1

DOS

IR

Vibrations