Geometry & MOs

Info

ID:	374236
PubChem CID:	131325695
Reduced:	NO2C11H15 (1)
Stoich.:	AB2C11D15 (1)
Weight, g/mol:	263.038292
ΔH_f, kcal/mol:	-57.51
Dipole, Da:	2.49
IP(EA), eV:	-9.26(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-amino-2-(2-chloro-4-methylsulfonylphenyl)propan-1-ol

Drug info:

PubChemData

Smile

CC(C)(C)C1=C(N=C(C=C1)OC)C=O

DOS

IR

Vibrations