Geometry & MOs

Info

ID:	84739
PubChem CID:	49869514
Reduced:	SF3O3N4C19H25 (1)
Stoich.:	AB3C3D4E19F25 (1)
Weight, g/mol:	410.17879
ΔH_f, kcal/mol:	-245.63
Dipole, Da:	11.84
IP(EA), eV:	-9.68(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-fluorobutoxy)-N-[(1S,3R)-3-(3-methyl-1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=NN=CN1[C@@H]2CCC[C@@H](C2)NS(=O)(=O)C3=CC=C(C=C3)OCCCC(F)(F)F

DOS

IR

Vibrations