Geometry & MOs

Info

ID:	142214
PubChem CID:	53001447
Reduced:	ClSO3N4H23C24 (1)
Stoich.:	ABC3D4E23F24 (1)
Weight, g/mol:	452.107375
ΔH_f, kcal/mol:	-20.9
Dipole, Da:	2.87
IP(EA), eV:	-8.22(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3,5-dimethylpyrazol-4-yl]-N-(3-methoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=NC(=CS2)C3=CC=C(C=C3)Cl)C)CC(=O)NC4=C(C=C(C=C4)OC)OC

DOS

IR

Vibrations