Geometry & MOs

Info

ID:	244934
PubChem CID:	99431620
Reduced:	SF3N3O4H18C19 (1)
Stoich.:	AB3C3D4E18F19 (1)
Weight, g/mol:	441.097012
ΔH_f, kcal/mol:	-246.92
Dipole, Da:	3.94
IP(EA), eV:	-10.02(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-[(3R)-4,4,4-trifluoro-3-hydroxy-3-phenylbutyl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@@](CCNC(=O)CNC2=NS(=O)(=O)C3=CC=CC=C32)(C(F)(F)F)O

DOS

IR

Vibrations