Geometry & MOs

Info

ID:	172933
PubChem CID:	75574381
Reduced:	ClSO3N5H16C17 (1)
Stoich.:	ABC3D5E16F17 (1)
Weight, g/mol:	456.087685
ΔH_f, kcal/mol:	-16.36
Dipole, Da:	3.94
IP(EA), eV:	-8.81(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5-[3-methyl-4-[(5-naphthalen-1-ylfuran-2-yl)methylidene]-5-oxopyrazol-1-yl]benzoic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2C(=O)C(=NNC3=CC=C(C=C3)S(=O)(=O)N)C(=N2)C)Cl

DOS

IR

Vibrations