Geometry & MOs

Info

ID:	131350
PubChem CID:	51194414
Reduced:	SN3O4C13H15 (1)
Stoich.:	AB3C4D13E15 (1)
Weight, g/mol:	375.161663
ΔH_f, kcal/mol:	-95.26
Dipole, Da:	8.8
IP(EA), eV:	-9.53(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]benzamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)NC(=O)C2=CC=CO2)C3CCS(=O)(=O)C3

DOS

IR

Vibrations