Geometry & MOs

Info

ID:	404356
PubChem CID:	135066024
Reduced:	OSeC15H18 (1)
Stoich.:	ABC15D18 (1)
Weight, g/mol:	453.125478
ΔH_f, kcal/mol:	-4.54
Dipole, Da:	2.3
IP(EA), eV:	-8.54(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-butyl 3-(4-cyanophenyl)-3-(1,3-dithian-2-ylidene)-2-(4-methylphenyl)propanethioate

Drug info:

PubChemData

Smile

C=CCCC1CCC=C(O1)[Se]C2=CC=CC=C2

DOS

IR

Vibrations