Geometry & MOs

Info

ID:	307197
PubChem CID:	125275731
Reduced:	SO5C40H42 (1)
Stoich.:	AB5C40D42 (1)
Weight, g/mol:	412.156912
ΔH_f, kcal/mol:	-49.25
Dipole, Da:	2.76
IP(EA), eV:	-9.2(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-methyl-5-[(4-methylphenyl)sulfamoyl]-N-(4-propan-2-ylphenyl)-3H-pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C=CCO[C@@H]1[C@@H](O[C@@H]([C@H]([C@H]1OCC=C)OCC=C)SC2=CC=CC=C2)COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations