Geometry & MOs

Info

ID:	390008
PubChem CID:	134996556
Reduced:	S3C11H14 (1)
Stoich.:	A3B11C14 (1)
Weight, g/mol:	256.131943
ΔH_f, kcal/mol:	32.9
Dipole, Da:	1.03
IP(EA), eV:	-8.5(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-4,5-bis(ethylsulfanyl)-2,7-dimethylocta-2,4,6-triene

Drug info:

PubChemData

Smile

CCS/C(=C/C1=CC=CC=C1)/SSC

DOS

IR

Vibrations