Geometry & MOs

Info

ID:	84855
PubChem CID:	49870340
Reduced:	SF3O3N4C23H25 (1)
Stoich.:	AB3C3D4E23F25 (1)
Weight, g/mol:	427.167811
ΔH_f, kcal/mol:	-205.16
Dipole, Da:	9.16
IP(EA), eV:	-9.8(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-4-(2-oxo-1H-pyridin-3-yl)-N-[(1S,3R)-3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CCC1=C(C=CC(=C1)C2=CC=CC=C2OC(F)(F)F)S(=O)(=O)NC3CCC[C@H](C3)N4C=NN=C4

DOS

IR

Vibrations