Geometry & MOs

Info

ID:	85642
PubChem CID:	49877831
Reduced:	SN2O4H20C26 (1)
Stoich.:	AB2C4D20E26 (1)
Weight, g/mol:	357.147727
ΔH_f, kcal/mol:	-30.16
Dipole, Da:	6.06
IP(EA), eV:	-8.85(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,5-dimethyl-4-[[(Z)-(1-oxonaphthalen-2-ylidene)methyl]amino]-2-phenylpyrazol-3-one

Drug info:

PubChemData

Smile

C1=C/C(=C/NC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)N/C=C/4\C(=O)C=CC=C4)/C(=O)C=C1

DOS

IR

Vibrations