Geometry & MOs

Info

ID:	290808
PubChem CID:	111123384
Reduced:	SO2N3C9H17 (1)
Stoich.:	AB2C3D9E17 (1)
Weight, g/mol:	299.049526
ΔH_f, kcal/mol:	-56.03
Dipole, Da:	4.71
IP(EA), eV:	-8.79(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethoxy]ethanol

Drug info:

PubChemData

Smile

CC(C)N1C=NN=C1SCCOCCO

DOS

IR

Vibrations