Geometry & MOs

Info

ID:	73463
PubChem CID:	48417788
Reduced:	ClSO3N4C18H19 (1)
Stoich.:	ABC3D4E18F19 (1)
Weight, g/mol:	364.156912
ΔH_f, kcal/mol:	-61.7
Dipole, Da:	4.68
IP(EA), eV:	-9.01(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-methyl-3-(propylsulfonylamino)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CCCS(=O)(=O)NC1=CC=CC(=C1C)NC(=O)C2=C(N=C3N2C=CC=C3)Cl

DOS

IR

Vibrations