Geometry & MOs

Info

ID:	57611
PubChem CID:	22426147
Reduced:	SO3N4C30H30 (1)
Stoich.:	AB3C4D30E30 (1)
Weight, g/mol:	546.14924
ΔH_f, kcal/mol:	-15.44
Dipole, Da:	7.51
IP(EA), eV:	-8.57(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[5-(4-chlorophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(4-ethoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)CC2C(=O)N=C(S2)N3C(CC(=N3)C4=CC=C(C=C4)C)C5=CC=C(C=C5)C

DOS

IR

Vibrations