Geometry & MOs

Info

ID:	182981
PubChem CID:	76966078
Reduced:	ClSN3O4H18C19 (1)
Stoich.:	ABC3D4E18F19 (1)
Weight, g/mol:	255.1293
ΔH_f, kcal/mol:	-69.5
Dipole, Da:	5.55
IP(EA), eV:	-9.49(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(2-methylsulfanylphenoxy)-3-(propan-2-ylamino)propan-2-ol

Drug info:

PubChemData

Smile

CCS(=O)(=O)[O-].C1=CC=C2C(=C1)C=C[N+]3=C2[C@@](N=CN3)(C4=CC=C(C=C4)Cl)O

DOS

IR

Vibrations