Geometry & MOs

Info

ID:	290814
PubChem CID:	111123416
Reduced:	O2S2N3C10H13 (1)
Stoich.:	A2B2C3D10E13 (1)
Weight, g/mol:	279.104148
ΔH_f, kcal/mol:	-6.55
Dipole, Da:	3.82
IP(EA), eV:	-8.74(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[1-(pyridin-2-ylmethyl)imidazol-2-yl]sulfanylethoxy]ethanol

Drug info:

PubChemData

Smile

C1=CSC(=C1)C2=NC(=NN2)SCCOCCO

DOS

IR

Vibrations