Geometry & MOs

Info

ID:	389992
PubChem CID:	134996443
Reduced:	N2S2C11H16 (1)
Stoich.:	A2B2C11D16 (1)
Weight, g/mol:	254.097666
ΔH_f, kcal/mol:	51.14
Dipole, Da:	2.74
IP(EA), eV:	-9.09(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(R)-[(E)-3,3-dimethoxy-2-methylprop-1-enyl]sulfinyl]-4-methylbenzene

Drug info:

PubChemData

Smile

CCCC/C(=C(/C(C)C)\N=C=S)/SC#N

DOS

IR

Vibrations