Geometry & MOs

Info

ID:	65114
PubChem CID:	29204487
Reduced:	SO3N4C22H26 (1)
Stoich.:	AB3C4D22E26 (1)
Weight, g/mol:	440.188212
ΔH_f, kcal/mol:	-54.84
Dipole, Da:	4.41
IP(EA), eV:	-9.05(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-N-[3-(diethylsulfamoyl)phenyl]-3,5-dimethylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)NC(=O)C2=C(N(N=C2C)C3=CC=CC=C3)C

DOS

IR

Vibrations