Geometry & MOs

Info

ID:	221317
PubChem CID:	85267640
Reduced:	SO2C10H15 (2)
Stoich.:	AB2C10D15 (2)
Weight, g/mol:	398.227952
ΔH_f, kcal/mol:	-168.57
Dipole, Da:	2.89
IP(EA), eV:	-8.65(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(4-methylphenyl)sulfinyl-8-phenyldodec-6-en-5-ol

Drug info:

PubChemData

Smile

CC1C(CC(OC1OC)CC2SCCCS2)OCC3=CC=C(C=C3)OC

DOS

IR

Vibrations