Geometry & MOs

Info

ID:	124517
PubChem CID:	50886237
Reduced:	SN2O3H12C17 (1)
Stoich.:	AB2C3D12E17 (1)
Weight, g/mol:	520.04006
ΔH_f, kcal/mol:	-24.97
Dipole, Da:	6.47
IP(EA), eV:	-8.96(-2.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4Z)-4-[(3-bromo-5-ethoxy-4-propoxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]-2-chlorobenzoic acid

Drug info:

PubChemData

Smile

C1CC2=C(C1)SC(=C2C(=O)N)N=C3C(=O)C4=CC=CC=C4C3=O

DOS

IR

Vibrations