Geometry & MOs

Info

ID:	172934
PubChem CID:	75574382
Reduced:	ClN2O4H17C26 (1)
Stoich.:	AB2C4D17E26 (1)
Weight, g/mol:	385.120861
ΔH_f, kcal/mol:	-20.75
Dipole, Da:	7.75
IP(EA), eV:	-8.76(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[1-(3,4-dimethylphenyl)-3-methyl-5-oxopyrazol-4-ylidene]hydrazinyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=NN(C(=O)C1=CC2=CC=C(O2)C3=CC=CC4=CC=CC=C43)C5=CC(=C(C=C5)Cl)C(=O)O

DOS

IR

Vibrations