Geometry & MOs

Info

ID:	65118
PubChem CID:	29204494
Reduced:	SN3O6C19H27 (1)
Stoich.:	AB3C6D19E27 (1)
Weight, g/mol:	426.14924
ΔH_f, kcal/mol:	-183.78
Dipole, Da:	1.49
IP(EA), eV:	-9.48(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butyl-5-chloro-N-[3-(diethylsulfamoyl)phenyl]-3-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)NC(=O)C[C@H]2[C@@H]([C@H](CC2=O)C)C[N+](=O)[O-]

DOS

IR

Vibrations