Geometry & MOs

Info

ID:	84738
PubChem CID:	49869512
Reduced:	SO2N6C19H24 (1)
Stoich.:	AB2C6D19E24 (1)
Weight, g/mol:	446.159946
ΔH_f, kcal/mol:	6.48
Dipole, Da:	7.2
IP(EA), eV:	-9.39(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CN(C=N1)C2=CC=C(C=C2)S(=O)(=O)N[C@H]3CCC[C@H](C3)N4C=NN=C4C

DOS

IR

Vibrations