Geometry & MOs

Info

ID:	136732
PubChem CID:	52090914
Reduced:	ClO2N3H18C23 (1)
Stoich.:	AB2C3D18E23 (1)
Weight, g/mol:	445.086305
ΔH_f, kcal/mol:	37.67
Dipole, Da:	6.21
IP(EA), eV:	-8.68(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-[2-[(3R)-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(=NN2C3=CC=CC=C3)C4=CC=CC=C4)Cl

DOS

IR

Vibrations