Geometry & MOs

Info

ID:	290815
PubChem CID:	111123418
Reduced:	SO2N3C13H17 (1)
Stoich.:	AB2C3D13E17 (1)
Weight, g/mol:	263.109233
ΔH_f, kcal/mol:	-22.04
Dipole, Da:	5.03
IP(EA), eV:	-8.75(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-[1-(pyridin-2-ylmethyl)imidazol-2-yl]sulfanylpropan-2-ol

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)CN2C=CN=C2SCCOCCO

DOS

IR

Vibrations