Geometry & MOs

Info

ID:	323213
PubChem CID:	126673684
Reduced:	NOC11H12 (2)
Stoich.:	ABC11D12 (2)
Weight, g/mol:	571.105862
ΔH_f, kcal/mol:	-39.37
Dipole, Da:	2.17
IP(EA), eV:	-8.19(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R,4S,5S)-5-(5,5-dihydroxybenzo[c][1,2]benzothiazin-6-yl)-4-hydroxypiperidin-3-yl]-4-(trifluoromethoxy)benzenesulfonamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC=CC(C1)N2C3=CC=CC=C3C4=CC=CC=C42

DOS

IR

Vibrations