Geometry & MOs

Info

ID:	136733
PubChem CID:	52090915
Reduced:	ClSN3O4H20C21 (1)
Stoich.:	ABC3D4E20F21 (1)
Weight, g/mol:	445.086305
ΔH_f, kcal/mol:	-82.63
Dipole, Da:	6.53
IP(EA), eV:	-8.9(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-[2-[(3S)-1,1-dioxothiolan-3-yl]-5-phenylpyrazol-3-yl]-4-methoxybenzamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)NC2=CC(=NN2[C@@H]3CCS(=O)(=O)C3)C4=CC=CC=C4)Cl

DOS

IR

Vibrations