Geometry & MOs

Info

ID:	433686
PubChem CID:	135173826
Reduced:	OSC9H12 (1)
Stoich.:	ABC9D12 (1)
Weight, g/mol:	199.103085
ΔH_f, kcal/mol:	-24.18
Dipole, Da:	3.81
IP(EA), eV:	-8.96(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,2-dimethyl-1-nitrosopropyl)-2-methylidenethiolane

Drug info:

PubChemData

Smile

C/C=C(\C)/C1=CCSCC1=O

DOS

IR

Vibrations