Geometry & MOs

Info

ID:	271956
PubChem CID:	103705703
Reduced:	NSO3C13H19 (1)
Stoich.:	ABC3D13E19 (1)
Weight, g/mol:	268.149701
ΔH_f, kcal/mol:	-127.08
Dipole, Da:	4.28
IP(EA), eV:	-8.35(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(3,5-dimethylphenoxy)propylsulfanyl]butan-2-ol

Drug info:

PubChemData

Smile

CC(C(C)SCC(=O)NC1=CC=C(C=C1)OC)O

DOS

IR

Vibrations