Geometry & MOs

Info

ID:	57610
PubChem CID:	22426146
Reduced:	ClSO3N4H25C28 (1)
Stoich.:	ABC3D4E25F28 (1)
Weight, g/mol:	526.203862
ΔH_f, kcal/mol:	-3.69
Dipole, Da:	8.15
IP(EA), eV:	-8.28(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[3,5-bis(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)Cl)C5=CC=CC=C5

DOS

IR

Vibrations