Geometry & MOs

Info

ID:	439245
PubChem CID:	135229012
Reduced:	SO2N4C26H34 (1)
Stoich.:	AB2C4D26E34 (1)
Weight, g/mol:	221.062283
ΔH_f, kcal/mol:	8.83
Dipole, Da:	3.47
IP(EA), eV:	-8.26(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-2-(4-methylsulfanylphenyl)-1H-pyrazol-5-one

Drug info:

PubChemData

Smile

CC1=C(C(=NC(=C1OCC2=CC=CC=C2)C)NN(O)SNCC3=CC=C(C=C3)C(C)(C)C)C

DOS

IR

Vibrations