Geometry & MOs

Info

ID:	376105
PubChem CID:	134222108
Reduced:	SN2O6H26C28 (1)
Stoich.:	AB2C6D26E28 (1)
Weight, g/mol:	246.083827
ΔH_f, kcal/mol:	-162.2
Dipole, Da:	8.29
IP(EA), eV:	-8.93(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-2-amino-3-fluoro-1-[4-(methylsulfonimidoyl)phenyl]propan-1-ol

Drug info:

PubChemData

Smile

CCC1=CN=C(C=C1)C(=O)COC2=CC=C(C=C2)CC3(CSC(=O)NC3=O)C(=O)OCC4=CC=CC=C4

DOS

IR

Vibrations