Geometry & MOs

Info

ID:	382989
PubChem CID:	134974459
Reduced:	OC7H13 (2)
Stoich.:	AB7C13 (2)
Weight, g/mol:	322.08097
ΔH_f, kcal/mol:	-55.17
Dipole, Da:	2.54
IP(EA), eV:	-9.41(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-cyano-3,3-bis(ethylsulfanyl)-1-pyridin-2-ylprop-2-enyl] acetate

Drug info:

PubChemData

Smile

C[C@@H]1CCOOCCCCCCCC=CC1

DOS

IR

Vibrations