Geometry & MOs

Info

ID:	48404
PubChem CID:	10544884
Reduced:	ClOSN2F3H12C13 (1)
Stoich.:	ABCD2E3F12G13 (1)
Weight, g/mol:	338.11489
ΔH_f, kcal/mol:	-152.46
Dipole, Da:	4.05
IP(EA), eV:	-8.93(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3Z)-5-ethoxy-2,2-dimethylocta-3,7-dien-4-yl]selanylbenzene

Drug info:

PubChemData

Smile

C1COCCN1C(=S)/N=C(/C2=CC=C(C=C2)C(F)(F)F)\Cl

DOS

IR

Vibrations