Geometry & MOs

Info

ID:	120917
PubChem CID:	50750740
Reduced:	ClO2N5H20C22 (1)
Stoich.:	AB2C5D20E22 (1)
Weight, g/mol:	432.161997
ΔH_f, kcal/mol:	10.83
Dipole, Da:	4.78
IP(EA), eV:	-9.07(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC(=O)CN2C(=CC(=O)N3C2=NC(=N3)C4=CC=C(C=C4)Cl)C

DOS

IR

Vibrations