Geometry & MOs

Info

ID:	84752
PubChem CID:	49869654
Reduced:	FSO3N4C21H29 (1)
Stoich.:	ABC3D4E21F29 (1)
Weight, g/mol:	370.127503
ΔH_f, kcal/mol:	-110.85
Dipole, Da:	12.82
IP(EA), eV:	-9.47(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R,5S)-3,3-difluoro-5-(1,2,4-triazol-4-yl)cyclohexyl]-3-ethylbenzenesulfonamide

Drug info:

PubChemData

Smile

CCCCOC1=CC(=C(C=C1)S(=O)(=O)N[C@H]2CCC[C@H](C2)N3C=NN=C3C4CC4)F

DOS

IR

Vibrations