Geometry & MOs

Info

ID:	201612
PubChem CID:	79562480
Reduced:	NSO4C15H25 (1)
Stoich.:	ABC4D15E25 (1)
Weight, g/mol:	379.04529
ΔH_f, kcal/mol:	-169.1
Dipole, Da:	4.13
IP(EA), eV:	-8.66(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromophenoxy)-3-[(2-methyl-2-methylsulfonylpropyl)amino]propan-2-ol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCC(CNCC(C)(C)S(=O)(=O)C)O

DOS

IR

Vibrations