Geometry & MOs

Info

ID:	136727
PubChem CID:	52090487
Reduced:	SN3O3C21H21 (1)
Stoich.:	AB3C3D21E21 (1)
Weight, g/mol:	395.130363
ΔH_f, kcal/mol:	-44.49
Dipole, Da:	4.04
IP(EA), eV:	-8.78(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC2=CC(=NN2[C@@H]3CCS(=O)(=O)C3)C4=CC=CC=C4

DOS

IR

Vibrations