Geometry & MOs

Info

ID:	404241
PubChem CID:	135065518
Reduced:	SeO2C19H20 (1)
Stoich.:	AB2C19D20 (1)
Weight, g/mol:	422.177179
ΔH_f, kcal/mol:	-26.38
Dipole, Da:	3.29
IP(EA), eV:	-8.38(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-butyl 2-[1,3-dithian-2-ylidene(phenyl)methyl]octanethioate

Drug info:

PubChemData

Smile

C1CC(OC(=C1)[Se]C2=CC=CC=C2)COCC3=CC=CC=C3

DOS

IR

Vibrations