Geometry & MOs

Info

ID:	84666
PubChem CID:	49869226
Reduced:	SO2N4C22H26 (1)
Stoich.:	AB2C4D22E26 (1)
Weight, g/mol:	441.183461
ΔH_f, kcal/mol:	-3.87
Dipole, Da:	7.15
IP(EA), eV:	-9.75(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=C(C=C(C=C1)S(=O)(=O)N[C@H]2CCC[C@H](C2)N3C=NN=C3)C4=CC=CC=C4

DOS

IR

Vibrations