Geometry & MOs

Info

ID:	411251
PubChem CID:	135084064
Reduced:	NO3C7H9 (1)
Stoich.:	AB3C7D9 (1)
Weight, g/mol:	206.043522
ΔH_f, kcal/mol:	-72.42
Dipole, Da:	4.6
IP(EA), eV:	-9.49(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCC#CN1CCOC1=O

DOS

IR

Vibrations