Geometry & MOs

Info

ID:	136726
PubChem CID:	52090335
Reduced:	SN3O6C26H31 (1)
Stoich.:	AB3C6D26E31 (1)
Weight, g/mol:	395.130363
ΔH_f, kcal/mol:	-160.9
Dipole, Da:	7.74
IP(EA), eV:	-8.13(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(3R)-1,1-dioxothiolan-3-yl]-5-phenylpyrazol-3-yl]-3-methylbenzamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)OCC(=O)NC2=CC(=NN2[C@@H]3CCS(=O)(=O)C3)C4=CC(=C(C=C4)OC)OC

DOS

IR

Vibrations