Geometry & MOs

Info

ID:	244933
PubChem CID:	99431619
Reduced:	N2O2F3H19C21 (1)
Stoich.:	A2B2C3D19E21 (1)
Weight, g/mol:	441.097012
ΔH_f, kcal/mol:	-186.09
Dipole, Da:	4.11
IP(EA), eV:	-9.39(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2C(=C1)C(=O)NCC[C@](C3=CC=CC=C3)(C(F)(F)F)O

DOS

IR

Vibrations