Geometry & MOs

Info

ID:	201615
PubChem CID:	79562483
Reduced:	NSO3C16H27 (1)
Stoich.:	ABC3D16E27 (1)
Weight, g/mol:	321.19738
ΔH_f, kcal/mol:	-139.25
Dipole, Da:	3.45
IP(EA), eV:	-9.22(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methylcyclohexyl)oxy-3-[(2-methyl-2-methylsulfonylpropyl)amino]propan-2-ol

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)C(CNCC(C)(C)S(=O)(=O)C)O

DOS

IR

Vibrations