Geometry & MOs

Info

ID:	224924
PubChem CID:	85730453
Reduced:	ClOSN2C8H13 (1)
Stoich.:	ABCD2E8F13 (1)
Weight, g/mol:	406.247207
ΔH_f, kcal/mol:	-12.24
Dipole, Da:	2.95
IP(EA), eV:	-9.41(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-difluoro-1-hexyl-4-[4-(4-hexylphenyl)buta-1,3-diynyl]benzene

Drug info:

PubChemData

Smile

CCCCCC1=NN=C(O1)SCCl

DOS

IR

Vibrations