Geometry & MOs

Info

ID:	242762
PubChem CID:	99206148
Reduced:	ClSN3O4H22C24 (1)
Stoich.:	ABC3D4E22F24 (1)
Weight, g/mol:	448.02047
ΔH_f, kcal/mol:	-89.45
Dipole, Da:	8.18
IP(EA), eV:	-9.18(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-5-methyl-N'-[4-(4-methylphenyl)sulfonylphenyl]-1H-pyrazole-3-carbohydrazide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)NNC(=O)[C@@H]3CCN(C3=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations