Geometry & MOs

Info

ID:	292591
PubChem CID:	117355923
Reduced:	NSO2C12H19 (1)
Stoich.:	ABC2D12E19 (1)
Weight, g/mol:	241.11365
ΔH_f, kcal/mol:	-61.59
Dipole, Da:	2.87
IP(EA), eV:	-8.17(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methyl-2-methylsulfonylphenyl)butan-1-amine

Drug info:

PubChemData

Smile

CNCCC1=C(C(=CC(=C1)OC)SC)OC

DOS

IR

Vibrations