Geometry & MOs

Info

ID:	62267
PubChem CID:	26718733
Reduced:	ClSN4O5H17C20 (1)
Stoich.:	ABC4D5E17F20 (1)
Weight, g/mol:	427.167811
ΔH_f, kcal/mol:	-64.53
Dipole, Da:	10.88
IP(EA), eV:	-9.51(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]-N-(4-sulfamoylphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CNC2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N)[N+](=O)[O-])Cl

DOS

IR

Vibrations