Geometry & MOs

Info

ID:	84736
PubChem CID:	49869510
Reduced:	SO2N6C21H26 (1)
Stoich.:	AB2C6D21E26 (1)
Weight, g/mol:	426.183795
ΔH_f, kcal/mol:	34.2
Dipole, Da:	10.52
IP(EA), eV:	-9.71(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-cyclopropylpyrazol-1-yl)-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)N4C(=CC=N4)C5CC5

DOS

IR

Vibrations