Geometry & MOs

Info

ID:	120913
PubChem CID:	50750481
Reduced:	SO3N4C15H22 (1)
Stoich.:	AB3C4D15E22 (1)
Weight, g/mol:	448.156912
ΔH_f, kcal/mol:	-80.85
Dipole, Da:	6.69
IP(EA), eV:	-8.44(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-ethoxyphenyl)-2-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxo-1H-pyrazol-4-yl]acetamide

Drug info:

PubChemData

Smile

COCCCN1CCN2C(=NC3=C2C=CC(=C3)NS(=O)(=O)C)C1

DOS

IR

Vibrations