Geometry & MOs

Info

ID:	404860
PubChem CID:	135071529
Reduced:	SO3C14H18 (1)
Stoich.:	AB3C14D18 (1)
Weight, g/mol:	192.027872
ΔH_f, kcal/mol:	-110.32
Dipole, Da:	2.58
IP(EA), eV:	-8.7(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3R)-2-(2-methylpropylidene)-1,3-dithiolane 1,3-dioxide

Drug info:

PubChemData

Smile

CC1(OC[C@@H]2[C@@H](O1)C[C@H](O2)SC3=CC=CC=C3)C

DOS

IR

Vibrations