Geometry & MOs

Info

ID:	67751
PubChem CID:	46507096
Reduced:	O3N6C33H40 (1)
Stoich.:	A3B6C33D40 (1)
Weight, g/mol:	454.092261
ΔH_f, kcal/mol:	-12.71
Dipole, Da:	1.87
IP(EA), eV:	-8.21(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4-ethoxyphenyl)sulfamoyl]-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)C2=NN3C=CN=C(C3=C2)N4CCC(CC4)C(=O)N5CCN(CC5)C6=CC=CC=C6OC

DOS

IR

Vibrations