Geometry & MOs

Info

ID:	1877
PubChem CID:	5253
Reduced:	SN2O3C12H20 (1)
Stoich.:	AB2C3D12E20 (1)
Weight, g/mol:	272.119464
ΔH_f, kcal/mol:	-122.86
Dipole, Da:	4.68
IP(EA), eV:	-8.77(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl]methanesulfonamide

Drug info:

PubChemData

Smile

CC(C)NCC(C1=CC=C(C=C1)NS(=O)(=O)C)O

DOS

IR

Vibrations