Geometry & MOs

Info

ID:	68309
PubChem CID:	46508165
Reduced:	NSO4C18H21 (1)
Stoich.:	ABC4D18E21 (1)
Weight, g/mol:	397.119319
ΔH_f, kcal/mol:	-148.81
Dipole, Da:	4.83
IP(EA), eV:	-8.9(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-oxo-1-(2-phenylanilino)propan-2-yl] 5-chloro-1,3-dimethylpyrazole-4-carboxylate

Drug info:

PubChemData

Smile

CCCOC(=O)C1=CC=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)C)C

DOS

IR

Vibrations