Geometry & MOs

Info

ID:	57612
PubChem CID:	22426148
Reduced:	ClSO3N4H27C29 (1)
Stoich.:	ABC3D4E27F29 (1)
Weight, g/mol:	542.198777
ΔH_f, kcal/mol:	-18.46
Dipole, Da:	8.04
IP(EA), eV:	-8.07(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-ethoxyphenyl)-2-[2-[5-(4-methoxyphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]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=C(C=C5)C

DOS

IR

Vibrations