Geometry & MOs

Info

ID:	281815
PubChem CID:	103914406
Reduced:	NSO3C12H25 (1)
Stoich.:	ABC3D12E25 (1)
Weight, g/mol:	251.155515
ΔH_f, kcal/mol:	-170.68
Dipole, Da:	5.17
IP(EA), eV:	-9.22(0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4-dimethyl-5-(1-methylsulfonylpropan-2-ylamino)pentan-1-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations