Geometry & MOs

Info

ID:	11244
PubChem CID:	112388
Reduced:	SO4N6H16C17 (1)
Stoich.:	AB4C6D16E17 (1)
Weight, g/mol:	400.095374
ΔH_f, kcal/mol:	44.64
Dipole, Da:	6.56
IP(EA), eV:	-9.15(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-4-[(4-methylsulfonyl-2-nitrophenyl)diazenyl]-2-phenylpyrazol-3-amine

Drug info:

PubChemData

Smile

CC1=NN(C(=C1N=NC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])N)C3=CC=CC=C3

DOS

IR

Vibrations