Geometry & MOs

Info

ID:	24263
PubChem CID:	608861
Reduced:	SO3N4H16C17 (1)
Stoich.:	AB3C4D16E17 (1)
Weight, g/mol:	356.094312
ΔH_f, kcal/mol:	45.13
Dipole, Da:	9.76
IP(EA), eV:	-8.94(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,5-dimethyl-4-[(4-nitrophenyl)sulfanylamino]-2-phenylpyrazol-3-one

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NSC3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations