Geometry & MOs

Info

ID:	414214
PubChem CID:	135087170
Reduced:	OSC18H18 (1)
Stoich.:	ABC18D18 (1)
Weight, g/mol:	222.198365
ΔH_f, kcal/mol:	49.79
Dipole, Da:	5.12
IP(EA), eV:	-8.21(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[S@](=O)C2=CC=CC=C2[C@H](C)C=C=C

DOS

IR

Vibrations