Geometry & MOs

Info

ID:	290812
PubChem CID:	111123410
Reduced:	SN2O2C14H18 (1)
Stoich.:	AB2C2D14E18 (1)
Weight, g/mol:	307.135448
ΔH_f, kcal/mol:	-35.02
Dipole, Da:	5.66
IP(EA), eV:	-8.7(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethoxy]ethanol

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2C=CN=C2SCCOCCO

DOS

IR

Vibrations