Geometry & MOs

Info

ID:	244880
PubChem CID:	99431534
Reduced:	SF3N3O4C20H20 (1)
Stoich.:	AB3C3D4E20F20 (1)
Weight, g/mol:	455.112662
ΔH_f, kcal/mol:	-265.57
Dipole, Da:	4.97
IP(EA), eV:	-9.77(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NCC[C@@](C1=CC=CC=C1)(C(F)(F)F)O)NC2=NS(=O)(=O)C3=CC=CC=C32

DOS

IR

Vibrations