Geometry & MOs

Info

ID:	380942
PubChem CID:	134971549
Reduced:	NSF2H13C16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	456.291585
ΔH_f, kcal/mol:	-7.1
Dipole, Da:	5.3
IP(EA), eV:	-9.01(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl-[9-(2-hexyl-1,3-dithian-2-yl)non-4-ynoxy]-dimethylsilane

Drug info:

PubChemData

Smile

C1C(C(=S)N1C(C2=CC=CC=C2)C3=CC=CC=C3)(F)F

DOS

IR

Vibrations