Geometry & MOs

Info

ID:	391256
PubChem CID:	135003928
Reduced:	NSF6C21H23 (1)
Stoich.:	ABC6D21E23 (1)
Weight, g/mol:	560.049392
ΔH_f, kcal/mol:	-320.42
Dipole, Da:	4.38
IP(EA), eV:	-8.76(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-chloro-1,4-bis(naphthalen-2-ylsulfanyl)but-1-en-3-ynyl]sulfanylnaphthalene

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)N4C(CC(S4)(C(F)(F)F)C(F)(F)F)C5=CC=CC=C5

DOS

IR

Vibrations