Geometry & MOs

Info

ID:	244879
PubChem CID:	99431533
Reduced:	ClNF3O4C22H25 (1)
Stoich.:	ABC3D4E22F25 (1)
Weight, g/mol:	455.112662
ΔH_f, kcal/mol:	-306.1
Dipole, Da:	2.8
IP(EA), eV:	-8.64(-0.46)
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-[(3R)-4,4,4-trifluoro-3-hydroxy-3-phenylbutyl]propanamide

Drug info:

PubChemData

Smile

CC(C)COC1=C(C=C(C=C1Cl)C(=O)NCC[C@](C2=CC=CC=C2)(C(F)(F)F)O)OC

DOS

IR

Vibrations