Geometry & MOs

Info

ID:	243587
PubChem CID:	99233171
Reduced:	ClSO3N4C21H21 (1)
Stoich.:	ABC3D4E21F21 (1)
Weight, g/mol:	433.14199
ΔH_f, kcal/mol:	-14.76
Dipole, Da:	7.27
IP(EA), eV:	-9.05(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-cyclopropyl-1H-pyrazol-3-yl)-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CC1C2=CC(=NN2)NC(=O)CN(CC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations