Geometry & MOs

Info

ID:	405077
PubChem CID:	135072406
Reduced:	O3C17H17 (2)
Stoich.:	A3B17C17 (2)
Weight, g/mol:	290.108899
ΔH_f, kcal/mol:	-140.22
Dipole, Da:	4.21
IP(EA), eV:	-9.52(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-pyridin-2-ylsulfonyldec-5-ynenitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COCC2C(C([C@@H](C(=O)O2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5

DOS

IR

Vibrations