Geometry & MOs

Info

ID:	385787
PubChem CID:	134979980
Reduced:	OC11H18 (1)
Stoich.:	AB11C18 (1)
Weight, g/mol:	315.186815
ΔH_f, kcal/mol:	-71.27
Dipole, Da:	3.28
IP(EA), eV:	-9.66(0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-propyl (E)-5-methyl-6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hex-3-enethioate

Drug info:

PubChemData

Smile

C[C@H]1[C@H]2CCC[C@H]2CCCC1=O

DOS

IR

Vibrations