Geometry & MOs

Info

ID:	388270
PubChem CID:	134988671
Reduced:	SC11H16 (1)
Stoich.:	AB11C16 (1)
Weight, g/mol:	287.064986
ΔH_f, kcal/mol:	28.14
Dipole, Da:	2.06
IP(EA), eV:	-8.55(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-cyano-4-ethoxy-6-methylsulfanyl-2,5-dihydrothiopyran-6-carboxylate

Drug info:

PubChemData

Smile

CC1C2=C(CC2)C(SC13CC3)C

DOS

IR

Vibrations