Geometry & MOs

Info

ID:	281387
PubChem CID:	103913797
Reduced:	NSO2C16H25 (1)
Stoich.:	ABC2D16E25 (1)
Weight, g/mol:	283.1606
ΔH_f, kcal/mol:	-91.39
Dipole, Da:	4.42
IP(EA), eV:	-9.08(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-(1-methylsulfonylpropan-2-yl)-2-phenylbutan-1-amine

Drug info:

PubChemData

Smile

CC(C)C(CNC1CCCS(=O)(=O)C1)C2=CC=CC=C2

DOS

IR

Vibrations