Geometry & MOs

Info

ID:	323198
PubChem CID:	126673507
Reduced:	SF3N3O5H20C23 (1)
Stoich.:	AB3C3D5E20F23 (1)
Weight, g/mol:	541.109468
ΔH_f, kcal/mol:	-257.54
Dipole, Da:	5.03
IP(EA), eV:	-8.68(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R,4R,5S)-5-(3,6-difluorocarbazol-9-yl)-4-hydroxypiperidin-3-yl]-4-(trifluoromethoxy)benzenesulfonamide

Drug info:

PubChemData

Smile

C1[C@H]([C@@H]([C@H](CO1)N2C3=CC=CC=C3OC4=CC=CC=C42)O)NS(=O)(=O)C5=CN=C(C=C5)C(F)(F)F

DOS

IR

Vibrations