Geometry & MOs

Info

ID:	281772
PubChem CID:	103914344
Reduced:	NSO3C11H23 (1)
Stoich.:	ABC3D11E23 (1)
Weight, g/mol:	237.139865
ΔH_f, kcal/mol:	-167.82
Dipole, Da:	6.88
IP(EA), eV:	-9.19(0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-dimethyl-4-(1-methylsulfonylpropan-2-ylamino)butan-1-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations