Geometry & MOs

Info

ID:	135594
PubChem CID:	51898028
Reduced:	SO5C17H18 (1)
Stoich.:	AB5C17D18 (1)
Weight, g/mol:	147.068414
ΔH_f, kcal/mol:	-160.88
Dipole, Da:	6.22
IP(EA), eV:	-8.63(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-pyridin-2-ylbut-3-yn-1-ol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OC[C@]2(COC3=CC=CC=C3O2)C

DOS

IR

Vibrations