Geometry & MOs

Info

ID:	205587
PubChem CID:	80123696
Reduced:	NSO2C13H21 (1)
Stoich.:	ABC2D13E21 (1)
Weight, g/mol:	281.181336
ΔH_f, kcal/mol:	-93.0
Dipole, Da:	3.82
IP(EA), eV:	-9.07(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3,5-dimethylphenyl)methylsulfanyl]-2-methyl-2-(propylamino)propan-1-ol

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)CS(=O)(=O)CC(C)CN)C

DOS

IR

Vibrations