Geometry & MOs

Info

ID:	124527
PubChem CID:	50887099
Reduced:	SN3O6C21H21 (1)
Stoich.:	AB3C6D21E21 (1)
Weight, g/mol:	550.177168
ΔH_f, kcal/mol:	-145.58
Dipole, Da:	8.3
IP(EA), eV:	-9.03(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[5-(3-chloro-2-methylphenyl)furan-2-yl]-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)/C=C\2/C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)N)C)OC(=O)C

DOS

IR

Vibrations